| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3VR53CW8U7 |
| EPA CompTox | DTXSID60198755 |
| InChI Key | ACBQROXDOHKANW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8N2O7 |
| Molecular Weight | 304.03 |
| AlogP | 3.08 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 121.81 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5070-13-3 |
| NORMAN SUSDAT | |
| FDA SRS | 3VR53CW8U7 |
| PubChem | 78756 |
| ChemSpider | 71095.0 |