| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2073647 |
| InChI Key | VJQINSVXSJNRLA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1O5S2 |
| Molecular Weight | 246.96 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 89.87 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 79277-18-2 |
| NORMAN SUSDAT | |
| PubChem | 157296 |
| ChemSpider | 138434.0 |