| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9P352Z3SQS |
| EPA CompTox | DTXSID6062759 |
| InChI Key | YGOKTRWIJMNYPH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.11 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 58.2 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2987-66-8 |
| NORMAN SUSDAT | |
| FDA SRS | 9P352Z3SQS |
| PubChem | 76338 |
| ChemSpider | 68815.0 |