| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 33Q5RZG6CP |
| EPA CompTox | DTXSID60212329 |
Structure
| InChI Key | OPACMJHTQWVSKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15N1 |
| Molecular Weight | 281.12 |
| AlogP | 5.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6304-33-2 |
| NORMAN SUSDAT | |
| FDA SRS | 33Q5RZG6CP |
| PubChem | 22743 |
| ChemSpider | 21321.0 |
CONTENTS
