| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A7N4BK32LT |
| EPA CompTox | DTXSID50158808 |
Structure
| InChI Key | HHIWVLZQIJUIPJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Cl1O1S1 |
| Molecular Weight | 188.01 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13457-98-2 |
| NORMAN SUSDAT | |
| FDA SRS | A7N4BK32LT |
| PubChem | 83487 |
| ChemSpider | 75325.0 |
CONTENTS
