| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZI75V15Y1T |
| EPA CompTox | DTXSID7022209 |
Structure
| InChI Key | PJUOHDQXFNPPRF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H13N1 |
| Molecular Weight | 231.1 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3558-69-8 |
| NORMAN SUSDAT | |
| FDA SRS | ZI75V15Y1T |
| PubChem | 72920 |
| ChemSpider | 65752.0 |
CONTENTS
