| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D5ZKJ773UV |
| EPA CompTox | DTXSID5063025 |
| InChI Key | QQKHASOJMBEMJE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O1 |
| Molecular Weight | 174.1 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 69390-24-5 |
| NORMAN SUSDAT | |
| FDA SRS | D5ZKJ773UV |
| PubChem | 102412 |
| ChemSpider | 92495.0 |