| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DF3UCW7BVA |
| EPA CompTox | DTXSID00211235 |
Structure
| InChI Key | JLXXLCJERIYMQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.05 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.82 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-34-4 |
| NORMAN SUSDAT | |
| FDA SRS | DF3UCW7BVA |
| PubChem | 69318 |
| ChemSpider | 62528.0 |
CONTENTS
