| Name |
Label |
Domain |
Range |
Comment |
| aggregation (edit) |
Aggregation |
ChemicalSubstance |
xsd:string |
|
| boilingPoint (edit) |
boiling point |
ChemicalSubstance |
Temperature |
|
| carcinogen (edit) |
carcinogen |
ChemicalSubstance |
xsd:string |
|
| chEMBL (edit) |
ChEMBL |
ChemicalSubstance |
xsd:string |
ChEMBL is a manually curated chemical database of bioactive molecules with drug-like properties. |
| chemSpiderId (edit) |
ChemSpider Id |
ChemicalSubstance |
xsd:string |
identifier in a free chemical database, owned by the Royal Society of Chemistry |
| chemicalFormula (edit) |
chemical formula |
ChemicalSubstance |
xsd:string |
|
| flashPoint (edit) |
flash point |
ChemicalSubstance |
xsd:integer |
lowest temperature at which a substance can vaporize and start burning |
| formula (edit) |
formula |
ChemicalSubstance |
xsd:string |
|
| inchi (edit) |
The IUPAC International Chemical Identifier |
ChemicalCompound |
xsd:string |
|
| inn (edit) |
INN |
ChemicalCompound |
xsd:string |
International Nonproprietary Name given to a pharmaceutical substance |
| kegg (edit) |
KEGG |
ChemicalSubstance |
xsd:string |
Bioinformatics resource for deciphering the genome. |
| lethalOnChickens (edit) |
lethal when given to chickens |
ChemicalSubstance |
xsd:string |
|
| lethalOnMice (edit) |
lethal when given to mice |
ChemicalSubstance |
xsd:string |
|
| lethalOnRabbits (edit) |
lethal when given to rabbits |
ChemicalSubstance |
xsd:string |
|
| lethalOnRats (edit) |
lethal when given to rats |
ChemicalSubstance |
xsd:string |
|
| molarMass (edit) |
molar mass |
ChemicalSubstance |
xsd:double |
|
| molecularWeight (edit) |
molecular weight |
ChemicalSubstance |
xsd:nonNegativeInteger |
|
| notSolubleIn (edit) |
not soluble in |
ChemicalSubstance |
ChemicalSubstance |
|
| partitionCoefficient (edit) |
Partition coefficient |
ChemicalSubstance |
xsd:float |
|
| pubchem (edit) |
PubChem |
ChemicalSubstance |
xsd:string |
|
| smiles (edit) |
SMILES |
ChemicalCompound |
xsd:string |
The Simplified Molecular-Input Line-Entry System or SMILES is a specification in form of a line notation for describing the structure of chemical molecules using short ASCII strings. |
| solubility (edit) |
solubility |
ChemicalSubstance |
xsd:integer |
|
| solvent (edit) |
solvent |
ChemicalSubstance |
ChemicalSubstance |
|
| solventWithBadSolubility (edit) |
solvent with bad solubility |
ChemicalSubstance |
ChemicalSubstance |
|
| solventWithGoodSolubility (edit) |
solvent with good solubility |
ChemicalSubstance |
ChemicalSubstance |
|
| solventWithMediocreSolubility (edit) |
solvent with mediocre solubility |
ChemicalSubstance |
ChemicalSubstance |
|
| unNumber (edit) |
UN number |
ChemicalSubstance |
xsd:string |
four-digit numbers that identify hazardous substances, and articles in the framework of international transport |
| vaporPressure (edit) |
vapor pressure |
ChemicalSubstance |
hectopascal |
|