| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 463ZJB0EI2 |
| EPA CompTox | DTXSID4025903 |
Structure
| InChI Key | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6N2O1 |
| Molecular Weight | 146.05 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.01 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 119-39-1 |
| NORMAN SUSDAT | |
| FDA SRS | 463ZJB0EI2 |
| PubChem | 8394 |
| ChemSpider | 8088.0 |
CONTENTS
