| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W313K2V7PG |
| EPA CompTox | DTXSID4047046 |
| InChI Key | OTKQNSSMCDLVQV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 |
| AlogP | 2.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15706-73-7 |
| NORMAN SUSDAT | |
| FDA SRS | W313K2V7PG |
| PubChem | 61812 |
| ChemSpider | 55692.0 |