| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80180536 |
| InChI Key | GRDMQWRBLJZFML-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2O7S1 |
| Molecular Weight | 324.01 |
| AlogP | 2.54 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 121.81 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 25887-81-4 |
| NORMAN SUSDAT | |
| PubChem | 97408 |
| ChemSpider | 87921.0 |