| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50670439 |
| InChI Key | HJFLUKUOXWTIBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H8N4O2 |
| Molecular Weight | 228.06 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 102.06 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 374067-80-8 |
| NORMAN SUSDAT | |
| PubChem | 45486744 |
| ChemSpider | 23350986.0 |