| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 59U4VC71C3 |
| EPA CompTox | DTXSID5061112 |
| InChI Key | RDOUKLWMBUMPIX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O1 |
| Molecular Weight | 138.1 |
| AlogP | 2.47 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 768-50-3 |
| NORMAN SUSDAT | |
| FDA SRS | 59U4VC71C3 |
| PubChem | 13031 |
| ChemSpider | 12489.0 |