| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20184179 |
| InChI Key | RWGUGNHDBXRLSD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N1O6 |
| Molecular Weight | 263.04 |
| AlogP | 1.88 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 99.65 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30095-79-5 |
| NORMAN SUSDAT | |
| PubChem | 121631 |
| ChemSpider | 108529.0 |