| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K4WW55HN82 |
| EPA CompTox | DTXSID90191173 |
| InChI Key | XZKLXPPYISZJCV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H14N2 |
| Molecular Weight | 234.12 |
| AlogP | 3.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.82 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 37734-89-7 |
| NORMAN SUSDAT | |
| FDA SRS | K4WW55HN82 |
| PubChem | 3015939 |
| ChemSpider | 2283976.0 |