| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YL5ZXN63Q6 |
| EPA CompTox | DTXSID30176681 |
| InChI Key | SXPJFDSMKWLOAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12N2O1 |
| Molecular Weight | 224.09 |
| AlogP | 2.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 38.05 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2215-63-6 |
| NORMAN SUSDAT | |
| FDA SRS | YL5ZXN63Q6 |
| PubChem | 75181 |
| ChemSpider | 67727.0 |