| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 525476DTML |
| EPA CompTox | DTXSID2024585 |
Structure
| InChI Key | HCAUQPZEWLULFJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9N1 |
| Molecular Weight | 179.07 |
| AlogP | 3.39 |
| Hydrogen Bond Acceptor | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85-02-9 |
| NORMAN SUSDAT | |
| FDA SRS | 525476DTML |
| PubChem | 6796 |
| ChemSpider | 6538.0 |
CONTENTS
