| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80164033 |
| InChI Key | SSMVDPYHLFEAJE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N4 |
| Molecular Weight | 134.06 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 74.78 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14860-64-1 |
| NORMAN SUSDAT | |
| PubChem | 84674 |
| ChemSpider | 76384.0 |