| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 96ZG43F5TE |
| EPA CompTox | DTXSID9061548 |
| InChI Key | VZOPVKZLLGMDDG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9N1O1 |
| Molecular Weight | 171.07 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.94 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1131-61-9 |
| NORMAN SUSDAT | |
| FDA SRS | 96ZG43F5TE |
| PubChem | 70803 |
| ChemSpider | 63968.0 |