| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XA09SR3JI3 |
| EPA CompTox | DTXSID80202722 |
| InChI Key | BTOFIDLWQJCUJG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.1 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54344-92-2 |
| NORMAN SUSDAT | |
| FDA SRS | XA09SR3JI3 |
| PubChem | 824142 |
| ChemSpider | 719921.0 |