| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80172936 |
Structure
| InChI Key | JSIQRJQKMVTGJN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6Cl1N1O1S1 |
| Molecular Weight | 210.99 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19339-59-4 |
| NORMAN SUSDAT | |
| PubChem | 88013 |
| ChemSpider | 79401.0 |
CONTENTS
