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Guidelines

Properties

References

Tools

• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/2#phase_of_matter_/_Aggregatzustand_/_phase
• + MeSH tree code (P672) + kolor + molecular function (P680), biological process (P682), significant drug interaction (P769), natural product of taxon (P1582), solvent (P2178), first aid measures (P2239)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/9#Critical_temperature_(en) , https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/9#Critical_pressure_(en) , https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/9#Triple_point_pressure_(en) , https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/9#Triple_point_temperature_(en)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/11#GHS_hazard_statements
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/11#melting_point_(en)_/_schmelzpunkt_(de)/_point_de_fusion_(fr)/_punto_de_fusión_(es)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/13#isotope_of_(or_'element')
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/14#GHS_precautionary_statements
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/16#NFPA_Special_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/19#GHS_hazard_pictograms
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/19#number_of_isotopes_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/20#periodic_table_block_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/20#period_(periodic_table_of_elements)_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/23#group_(periodic_table_of_elements)_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/23#Element_composition_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/23#Oxide_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/31#IUPAC_name_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/33#WHMIS_label_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/33#Colour_Index_International_Generic_Name_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/34#Heat_capacity_(en)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/35#specific_gravity_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/35#molecular_mass_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/36#relative_density_to_air_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/36#Periodic_table_block_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/36#atomic_mass_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#Electrical_resistivity_(en)_/_elektrischer_widerstand_(de)/_résistivité_électrique_(fr)/_la_resistividad_eléctrica_(es)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#OSHA_liquid_class_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#chemical_exposure_route_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#symptoms_from_overexposure_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#organ_affected_by_chemical_exposure_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#NIOSH_recommended_exposure_limit_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#OSHA_permissible_exposure_limit_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#type_of_exposure_limit_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#State_of_matter_at_STP_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#electrons_per_shell_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#electron_shell_number_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/38#electron_configuration_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/41#chemical_exposure_properties_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/41#R_phrase_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/41#S_phrase_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/42#has_substituent_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/45#Global-warming_potential_(20_years)_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/46#analytical_method_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/47#median_lethal_dose_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Archive/52#has_role_(in_ChEBI_Ontology)_(en)_–_(proszę_przetłumaczyć_na_polski)
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/standard_atomic_weight
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/conventional_atomic_weight
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/relative_atomic_mass
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/hydrate
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/chemical_resistance
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/Valence
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/contains_functional_group
• https://www.wikidata.org/wiki/Wikidata:Property_proposal/contains_chemical_element

General properties

property	datatype	qualifiers	constraints	discussion	remark

property	datatype	qualifiers	constraints	status	remark
has part(s) (P527)	Item			created
Scoville grade (P2658)
alcohol by volume (P2665)
active ingredient in (P3780)
has active ingredient (P3781)
discoverer or inventor (P61)
named after (P138)
image (P18)
instance of (P31)
subclass of (P279)
part of (P361)
mass (P2067)
has effect (P1542)
found in taxon (P703)
physically interacts with (P129)
has use (P366)
has characteristic (P1552)
subject has role (P2868)

Properties related to chemical elements

property	datatype	qualifiers	constraints	status	remark
element symbol (P246)	string	*
atomic number (P1086)	value	*		created
electronegativity (P1108)	value	*		created
oxidation state (P1121)	value			created
neutron number (P1148)
natural abundance (P2374)
electron configuration (P8000)
coordination number (P10795)

Properties related to chemical entities

Relations between items

property	datatype	qualifiers	constraints	discussion	remark
stereoisomer of (P3364)	Item	–	link	link	see Guidelines for more information
conjugate acid (P4147)	Item	–	link	link
conjugate base (P4149)	Item	–	link	link
monomer of (P4599)	Item	–	link	link
polymer of (P4600)	Item	–	link	link
hydrated form of (P4770)	Item	–	link	link
tautomer of (P6185)	Item	–	link	link
isotopically modified form of (P9977)	Item	–	link	link

Names and nomenclature

property	datatype	qualifiers	constraints	discussion	remark
World Health Organisation international non-proprietary name (P2275)	Monolingual text	–	link	link	may be switched to Multilingual text (not available yet) in the future
INCI name (P4951)	String	–	link	link	should be switched to Monolingual text

Formulae and illustrations

property	datatype	qualifiers	constraints	discussion	remark
chemical structure (P117)	Commons media file	criterion used (P1013) orientation (P7469)	link	none	see Guidelines for more information
image of molecular model or crystal lattice model (P8224)	Commons media file	depicts (P180)	link	link	see Guidelines for more information
chemical formula (P274)	String	criterion used (P1013)	link	link	see Guidelines for more information
general formula (P1673)	String	–	link	link	see Guidelines for more information
canonical SMILES (P233)	String	–	link	none
isomeric SMILES (P2017)	String	–	link	link
SMARTS notation (P8533)	String	–	link	link
CXSMILES (P10718)	String	–	link	link

Physical and chemical properties

property	datatype	qualifiers	constraints	discussion	remark
phase point (P873)	Quantity	temperature (P2076) under pressure (P2077) density (P2054) molar volume (P2807) phase of matter (P515)	link	link	value can be set either triple point (Q106410) or critical point (Q111059) and all the data related to a specific phase point is added via qualifiers
refractive index (P1109)	Quantity	temperature (P2076) wavelength (P2808)	link	link
pKa (P1117)	Quantity	temperature (P2076)	link	link
density (P2054)	Quantity	temperature (P2076) under pressure (P2077) phase of matter (P515)	link	link
thermal conductivity (P2068)	Quantity	temperature (P2076) phase of matter (P515)	link	link
electrical conductivity (P2055)	Quantity	temperature (P2076) phase of matter (P515)	link	link
melting point (P2101)	Quantity		link	link
boiling point (P2102)	Quantity	under pressure (P2077)	link	link
sublimation temperature (P2113)	Quantity	under pressure (P2077)	link	link
decomposition point (P2107)	Quantity		link	link
kinematic viscosity (P2118)	Quantity	temperature (P2076) phase of matter (P515)	link	link
dynamic viscosity (P3070)	Quantity	temperature (P2076) phase of matter (P515)	link	link
vapor pressure (P2119)	Quantity	temperature (P2076)	link	link
flash point (P2128)	Quantity	determination method or standard (P459)	link	link
solubility (P2177)	Quantity	solvent (P2178) temperature (P2076) descriptive solubility (P8459)	link	link
lower flammable limit (P2202)	Quantity		link	link
upper flammable limit (P2203)	Quantity		link	link
minimum explosive concentration (P2204)	Quantity		link	link
autoignition temperature (P2199)	Quantity	determination method or standard (P459)	link	link
explosive velocity (P2231)	Quantity		link	link
partition coefficient water/octanol (P2993)	Quantity	temperature (P2076)	link	link
surface tension (P3013)	Quantity	temperature (P2076)	link	link
standard molar entropy (P3071)	Quantity	phase of matter (P515)	link	link
standard enthalpy of formation (P3078)	Quantity	phase of matter (P515)	link	link
limiting oxygen index (P5929)	Quantity		link	link
specific rotation (P6272)	Quantity	temperature (P2076) wavelength (P2808) solvent (P2178) concentration (P6274)	link	link
van der Waals constant a (P8465)	Quantity		link	link
van der Waals constant b (P8466)	Quantity		link	link
pH value (P9440)	Quantity		link	link
molar fusion enthalpy (P2066)	Quantity	temperature (P2076)	link	link
molar enthalpy of vaporization (P2116)	Quantity	temperature (P2076)	link	link
combustion enthalpy (P2117)	Quantity		link	link	different methods of determination should be specified as a qualifier
specific heat capacity (P2056)	Quantity	temperature (P2076) phase of matter (P515)	link	link
electric dipole moment (P2201)	Quantity	molecule conformation (P3149) phase of matter (P515)	link	link
speed of sound (P2075)	Quantity	temperature (P2076) phase of matter (P515)	link	link
acceptable daily intake (P2542)	Quantity	*	link	link
global warming potential (P2565)	Quantity	duration (P2047)	link	link
ionization energy (P2260)	Quantity	series ordinal (P1545)	link	link

Safety parameters + toxicology

property	datatype	qualifiers	constraints	status	remark
Kemler code (P700)	value	*		created
UN class (P874)	value	*		created
UN classification code (P875)	value	*		created
UN packaging group (P876)	value	*		created
immediately dangerous to life or health (P2129)	value			created
median lethal dose (LD50) (P2240)	value	applies to taxon (P2352), route of administration (P636)	link	created
minimal lethal dose (P2300)	value	applies to taxon (P2352), route of administration (P636)	link	created
time-weighted average exposure limit (P2404)	value		link	created
ceiling exposure limit (P2405)	value		link	created
maximum peak exposure limit (P2406)	value		link	created
short-term exposure limit (P2407)	value		link	created
minimal lethal concentration (P2710)	value	applies to taxon (P2352), duration (P2047)	link	created
median lethal concentration (LC50) (P2712)	value	applies to taxon (P2352), duration (P2047)	link	created
no-observed-adverse-effect level (P2717)	value	applies to taxon (P2352), route of administration (P636), duration (P2047)	link	created
lowest-observed-adverse-effect level (P2718)	value	applies to taxon (P2352), route of administration (P636), duration (P2047)	link	created
half maximal inhibitory concentration (IC50) (P4268)
half maximal effective concentration (EC50) (P4269)
safety classification and labelling (P4952)

Chemistry-related qualifiers

property	datatype	qualifiers	constraints	status	remark
phase of matter (P515)	Wikidata item			created
applies to taxon (P2352)	Wikidata item			created
NFPA Health (P993)	value	*		created
NFPA Fire (P994)	value	*		created
NFPA Instability (P995)	value	*		created
NFPA Special (P877)	value	*		created
GHS signal word (P1033)	Item	*		created	Possibilities: Danger, Warning, Nothing
temperature (P2076)	value	created
under pressure (P2077)	value	created
GHS hazard pictogram (P5040)
GHS hazard statement (P5041)
GHS precautionary statement (P5042)
concentration (P6274)
descriptive solubility (P8459)
charge number (P10764)
duration (P2047)
determination method or standard (P459)	Wikidata item	created
route of administration (P636)	Wikidata item	created

Crystallography

property	datatype	qualifiers	constraints	status	remark
crystal system (P556)	Item			created	7 possibilities: cubic crystal system (Q473227), hexagonal crystal system (Q663314), trigonal crystal system (Q588274), tetragonal crystal system (Q503601), orthorhombic crystal system (Q648961), monoclinic crystal system (Q624543), triclinic crystal system (Q376927)
International Tables for Crystallography space group number (P9733)
point group (P589)	Item			created	32 possibilities
space group (P690)	Item	*	*	created	230 possibilities: 14 of which are Bravais lattices
crystal habit (P565)	Item	*	*	created

Enzymes

property	datatype	qualifiers	constraints	status	remark
EC enzyme classification (P660)
substrate of (P2414)
activator of (P3771)
agonist of (P3772)
antagonist of (P3773)
blocker of (P3774)
disrupting agent for (P3775)
inhibitor of (P3776)
antisense inhibitor of (P3777)
positive allosteric modulator of (P3778)
negative allosteric modulator of (P3779)
inverse agonist of (P9275)
facilitates flow of (P10228)

Identifiers

property	datatype	qualifiers	constraints	status	remark
ChEMBL ID (P592)	String	*	link	created
E number (P628)	String	Approved in (country)	link	created
UNII (P652)	String	*	link	created
ChemSpider ID (P661)	String	*	link	created
PubChem CID (P662)	String	*	link	created
Reaxys registry number (P1579)	String	*	link	created	Identifier in the Beilstein database
ZINC ID (P2084)
P2874 (P2874)
InterPro ID (P2926)
CosIng number (P3073)	String	*	link	created
ClinicalTrials.gov ID (P3098)
RxNorm ID (P3345)
Merck Index reaction ID (P3378)
PDB ligand ID (P3636)
IECIC 2015 ID (P3978)
IUPAC Gold Book ID (P4732)
BMRB ID (P5219)
ICSC ID (P5220)
MeSH term ID (P6680)
MassBank accession ID (P6689)
MeSH concept ID (P6694)
PharmGKB ID (P7001)
HCIS ID (P7025)
Transporter Classification Database ID (P7260)
Natural Product Atlas ID (P7746)
Haz-Map ID (P7999)
FooDB compound ID (P8117)
ModelSEED compound ID (P8120)
UM-BBD compound ID (P8121)
FEMA number (P8266)
BitterDB compound ID (P8354)
DSSTOX compound identifier (P8494)
ChemRxiv ID (P9262)
NMRShiftDB structure ID (P9405)
COD ID (P9824)
Materials Project material ID (P9902)
Vietherb metabolite ID (P9933)
Dr. Duke's Phytochemical and Ethnobotanical Databases chemical ID (P10074)
CAS Registry Number (P231)	String	*	link	created
EC number (P232)	String	*	link	created
InChI (P234)	String	*	link	created
InChIKey (P235)	String	*	link	created
ATC code (P267)	String	*	link	created	w:Template:ATC
ATCvet (P1668)
Guide to Pharmacology Ligand ID (P595)
RefSeq RNA ID (P639)
RTECS number (P657)	String	*	link	created
KEGG ID (P665)
ChEBI ID (P683)	String	*	link	created
UN number (P695)	value	*		created
Kemler code (P700)					to be deprecated, wrong use of external-ID
DrugBank ID (P715)	String	*	link	created
Gmelin number (P1578)	String	*	link	created
NIOSH Pocket Guide ID (P1931)	String	*	link	created
ZVG number (P679)	String	*	link	created
USDA NDB number (P1978)
Colour Index International constitution ID (P2027)
Human Metabolome Database ID (P2057)
HSDB ID (P2062)
CDB Chemical ID (P2072)	String	*	link	created
ECHA Substance Infocard ID (P2566)	String	*	link	created
3DMet ID (P2796)	String	*	link	created
DSSTox substance ID (P3117)	String	*	link	created
LIPID MAPS ID (P2063)
KNApSAcK ID (P2064)
NIAID ChemDB ID (P2065)
P2086 (P2086)
Leadscope ID (P2083)
Nikkaji ID (P2085)
NDF-RT ID (P2115)
PubChem Substance ID (SID) (P2153)
mirTarBase ID (P2646)
NSC number (P2840)
SureChEMBL ID (P2877)
Open Beauty Facts category ID (P3076)
World Health Organisation international non-proprietary name numeric ID (P3350)
Pfam ID (P3519)
Australian Register of Therapeutic Goods ID (P3550)
European Medicines Agency product number (P3637)
National Drug Code (P3640)
P3717 (P3717)
MetaboLights Compound ID (P3890)
IEDB Epitope ID (P4168)
Anvisa drug ID (P4393)
JECFA database ID (P4852)
JMPR database ID (P4853)
REBASE Enzyme Number (P4866)
Spectral Database for Organic Compounds ID (P5926)
MeSH term ID (P6680)
MassBank accession ID (P6689)
MeSH concept ID (P6694)
CCDC Number (P6852)
SÚKL code (P8502)
ChemSynthesis ID (P8508)
SwissLipids ID (P8691)
FL number (P9066)
JECFA number (P9557)
electronic Essential Medicines List medicine ID (P9635)
MedlinePlus drug identifier (P10245)
MedlinePlus supplement identifier (P10246)
GeoSciML ID (P10727)

Rejected, deleted and other properties

• https://www.wikidata.org/wiki/Wikidata:Property_proposal/chirality#Motivation

property	datatype	qualifiers	constraints	status	remark
Molar mass	value	*	*	not done	Use of chemical formula to calculate molar mass ?
Composition	?	Min, max, remark		not initialized	This property will facilitate known compositional data for complex objects. In some cases data may be variable, so minimum and maximum values are desirable when such data is available. Example items include consumables, such as cheddar cheese with 721 mg calcium per 100 g, and for which the USDA's National Nutrient Database for Standard Reference contains 8,194 public domain datasets that could easily be gathered by a bot.   — C M B J   04:46, 18 April 2013 (UTC)
Appearence	Multilingual text (not available yet)	*		not initialized
w:Hill formula	String	*	-	not done	See discussion
other names	Multilingual text (not available yet)	*	-	not done	Use aliases
w:IUPAC name	Multilingual text (not available yet)	*		pending
StdInChI	String	*	-	not done	See discussion
StdInChIKey	String	*	-	not done
UN transport pictogram	value	*		not done
SIMDUT label	value			not done	SIMDUT agency will shift to GHS
TCLo	value	applies to taxon (P2352), duration (P2047)		discussion
TC50	value	applies to taxon (P2352), duration (P2047)		discussion
Lattice parameter a	value	*	*	proposal	Or use qualifier to define the parameter instead of creating one property for each parameter ?
Lattice parameter b	value	*	*	proposal
Lattice parameter c	value	*	*	proposal
Lattice parameter α	value	*	*	proposal
Lattice parameter β	value	*	*	proposal
Lattice parameter γ	value	*	*	proposal
Theoretical density	value	*	*	proposal
Volume	value	*	*	proposal
Parameter Z	value	*	*	proposal
аtomic weight	value	*		proposal
Radioactive element	*	*		discussion
Periodic table group	value	*		proposal
Periodic table period	value	*		proposal
Periodic table block	Monolingual text	*		proposal
Periodic classification	Item	*		proposal	metal, non-metal, halogen, noble gas