| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GR391IBU5C |
| EPA CompTox | DTXSID5047085 |
| InChI Key | DBZAKQWXICEWNW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O1 |
| Molecular Weight | 122.05 |
| AlogP | 0.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.85 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22047-25-2 |
| NORMAN SUSDAT | |
| FDA SRS | GR391IBU5C |
| PubChem | 30914 |
| ChemSpider | 28682.0 |