| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QJ69FHE7Y3 |
| EPA CompTox | DTXSID1062259 |
| InChI Key | VNHGETRQQSYUGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N1O3 |
| Molecular Weight | 215.06 |
| AlogP | 3.39 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2216-12-8 |
| NORMAN SUSDAT | |
| FDA SRS | QJ69FHE7Y3 |
| PubChem | 16661 |
| ChemSpider | 15798.0 |