Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
UNII | QH9D98Z86N |
EPA CompTox | DTXSID0075102 |
InChI Key | JTHNLKXLWOXOQK-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C6H10O1 | |
Molecular Weight | 98.07 | |
AlogP | 1.54 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 17.07 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 7.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 1629-60-3 | |
NORMAN SUSDAT | ||
FDA SRS | QH9D98Z86N | |
PubChem | 15395 | |
ChemSpider | 14654.0 |