| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4066676 |
| InChI Key | XYJJSLMPHYYITA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O4S1 |
| Molecular Weight | 234.97 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 77.28 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21081-74-3 |
| NORMAN SUSDAT | |
| PubChem | 88784 |
| ChemSpider | 80114.0 |