| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8CTH9J8QBV |
| EPA CompTox | DTXSID50234575 |
| InChI Key | CZKFUVLVALZBLH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H6Cl3N1O1S1 |
| Molecular Weight | 328.92 |
| AlogP | 6.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85391-68-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8CTH9J8QBV |
| PubChem | 3020652 |
| ChemSpider | 2287488.0 |