| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J80Z7D1K94 |
| EPA CompTox | DTXSID1068229 |
| InChI Key | QATHVLKLWVUSRC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O1 |
| Molecular Weight | 176.12 |
| AlogP | 2.84 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40463-09-0 |
| NORMAN SUSDAT | |
| FDA SRS | J80Z7D1K94 |
| PubChem | 170307 |
| ChemSpider | 148914.0 |