| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 15FG1M8OP9 |
| EPA CompTox | DTXSID1059440 |
| InChI Key | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9N1O3 |
| Molecular Weight | 239.06 |
| AlogP | 1.75 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 116-85-8 |
| NORMAN SUSDAT | |
| FDA SRS | 15FG1M8OP9 |
| PubChem | 8323 |
| ChemSpider | 8020.0 |