| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PC6801C293 |
| EPA CompTox | DTXSID60167603 |
| InChI Key | QWZHDKGQKYEBKK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7N1O2 |
| Molecular Weight | 161.05 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 56.23 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1635-31-0 |
| NORMAN SUSDAT | |
| FDA SRS | PC6801C293 |
| PubChem | 74217 |
| ChemSpider | 66824.0 |