| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4E4RV03XX5 |
| EPA CompTox | DTXSID10226299 |
Structure
| InChI Key | IBWINXSTXHFYMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5Cl2N1S1 |
| Molecular Weight | 216.95 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7534-64-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4E4RV03XX5 |
| PubChem | 82034 |
| ChemSpider | 74036.0 |
CONTENTS
