| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 48GAW2Q2G8 |
| EPA CompTox | DTXSID80185945 |
| InChI Key | JIXGRXJTSCZWNB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7Cl1S1 |
| Molecular Weight | 182.0 |
| AlogP | 3.64 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3216-47-5 |
| NORMAN SUSDAT | |
| FDA SRS | 48GAW2Q2G8 |
| PubChem | 76680 |
| ChemSpider | 69141.0 |