| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WC7X4F3TKB |
| EPA CompTox | DTXSID30211107 |
Structure
| InChI Key | NDGBEMZDTZFYFI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl1N1O2S1 |
| Molecular Weight | 217.0 |
| AlogP | 2.93 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62047-27-2 |
| NORMAN SUSDAT | |
| FDA SRS | WC7X4F3TKB |
| PubChem | 112799 |
| ChemSpider | 101099.0 |
CONTENTS
