| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9ZE6124VOI |
| EPA CompTox | DTXSID00176956 |
| InChI Key | XIXJQNFTNSQTBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H7N1O1 |
| Molecular Weight | 169.05 |
| AlogP | 2.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2243-54-1 |
| NORMAN SUSDAT | |
| FDA SRS | 9ZE6124VOI |
| PubChem | 16718 |
| ChemSpider | 15849.0 |