| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T8ET5RE8I8 |
| EPA CompTox | DTXSID0058227 |
Structure
| InChI Key | KDWQYMVPYJGPHS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H18Cl1N1O2S1 |
| Molecular Weight | 323.07 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 29.54 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 96491-05-3 |
| NORMAN SUSDAT | |
| FDA SRS | T8ET5RE8I8 |
| PubChem | 443036 |
| ChemSpider | 391337.0 |
CONTENTS
