| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NB96PB9MBJ |
| EPA CompTox | DTXSID8063620 |
| InChI Key | MZKALFCNIJHTJG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H12N2O1 |
| Molecular Weight | 236.09 |
| AlogP | 2.83 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 32.67 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4845-49-2 |
| NORMAN SUSDAT | |
| FDA SRS | NB96PB9MBJ |
| PubChem | 78559 |
| ChemSpider | 70920.0 |