| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10203060 |
| InChI Key | FERWLTQKKCMCTA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11N1O1 |
| Molecular Weight | 185.08 |
| AlogP | 3.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54629-96-8 |
| NORMAN SUSDAT | |
| PubChem | 3016902 |
| ChemSpider | 2284751.0 |