| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GXN9KA7YPX |
| EPA CompTox | DTXSID90157032 |
Structure
| InChI Key | RODTWUBQTXSTLJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9N1 |
| Molecular Weight | 179.07 |
| AlogP | 2.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13141-42-9 |
| NORMAN SUSDAT | |
| FDA SRS | GXN9KA7YPX |
| PubChem | 83175 |
| ChemSpider | 75042.0 |
CONTENTS
