| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FA5J4RSN5S |
| EPA CompTox | DTXSID80180859 |
Structure
| InChI Key | POSRBSJJCMKQNU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12N2 |
| Molecular Weight | 208.1 |
| AlogP | 3.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.82 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2622-63-1 |
| NORMAN SUSDAT | |
| FDA SRS | FA5J4RSN5S |
| PubChem | 75807 |
| ChemSpider | 68316.0 |
CONTENTS
