| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YS5PDT7XIC |
| EPA CompTox | DTXSID6064664 |
| InChI Key | PFDVPCSDZXZDMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O1 |
| Molecular Weight | 176.12 |
| AlogP | 2.94 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7403-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | YS5PDT7XIC |
| PubChem | 81898 |
| ChemSpider | 73906.0 |