| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y6TPK237O6 |
| EPA CompTox | DTXSID80194592 |
Structure
| InChI Key | KANZWHBYRHQMKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.05 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4177-16-6 |
| NORMAN SUSDAT | |
| FDA SRS | Y6TPK237O6 |
| PubChem | 77840 |
| ChemSpider | 70235.0 |
CONTENTS
