| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90352060 |
| InChI Key | KUTKKTKUSGIBPZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O6S2 |
| Molecular Weight | 293.0 |
| AlogP | -0.01 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 98.77 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 106820-63-7 |
| NORMAN SUSDAT | |
| PubChem | 717593 |
| ChemSpider | 626236.0 |