| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8073390 |
| InChI Key | SSOVHFPWMPUQOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O3S1 |
| Molecular Weight | 197.01 |
| AlogP | 0.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 67.16 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10531-13-2 |
| NORMAN SUSDAT | |
| PubChem | 82705 |
| ChemSpider | 74635.0 |