| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G5E357ISH5 |
| EPA CompTox | DTXSID2061567 |
Structure
| InChI Key | DRGAZIDRYFYHIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N3 |
| Molecular Weight | 233.1 |
| AlogP | 3.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 38.67 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1148-79-4 |
| NORMAN SUSDAT | |
| FDA SRS | G5E357ISH5 |
| PubChem | 70848 |
| ChemSpider | 64012.0 |
CONTENTS
