| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S497LCF9C9 |
| EPA CompTox | DTXSID7046542 |
| InChI Key | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N1O2 |
| Molecular Weight | 213.08 |
| AlogP | 2.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-44-0 |
| NORMAN SUSDAT | |
| FDA SRS | S497LCF9C9 |
| PubChem | 7191 |
| ChemSpider | 6923.0 |