| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B7J3O076OT |
| EPA CompTox | DTXSID7061061 |
| InChI Key | UNBOSJFEZZJZLR-PFONDFGASA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10N4O2 |
| Molecular Weight | 242.08 |
| AlogP | 3.59 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 93.88 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 730-40-5 |
| NORMAN SUSDAT | |
| FDA SRS | B7J3O076OT |
| ChemSpider | 35804572.0 |