| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9VH7LQN5JE |
| EPA CompTox | DTXSID8061557 |
| InChI Key | RBKHNGHPZZZJCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N1O1 |
| Molecular Weight | 197.08 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.09 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1137-41-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9VH7LQN5JE |
| PubChem | 14346 |
| ChemSpider | 13707.0 |