| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0Y85F7Y2B8 |
| EPA CompTox | DTXSID2027418 |
Structure
| InChI Key | NGCJVMZXRCLPRQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.05 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.58 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1572-52-7 |
| NORMAN SUSDAT | |
| FDA SRS | 0Y85F7Y2B8 |
| PubChem | 74080 |
| ChemSpider | 66697.0 |
CONTENTS
