| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DO5AR91I76 |
| EPA CompTox | DTXSID70221684 |
| InChI Key | RTSOJVJDKNKNFU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H7N1O4 |
| Molecular Weight | 217.04 |
| AlogP | 2.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 73.35 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7147-77-5 |
| NORMAN SUSDAT | |
| FDA SRS | DO5AR91I76 |
| PubChem | 81567 |
| ChemSpider | 73597.0 |