| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QR6QV3EC23 |
| EPA CompTox | DTXSID9060732 |
| InChI Key | CPPGZWWUPFWALU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O1 |
| Molecular Weight | 133.05 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 621-29-4 |
| NORMAN SUSDAT | |
| FDA SRS | QR6QV3EC23 |
| PubChem | 69303 |
| ChemSpider | 62514.0 |