| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QL8U86ANF3 |
| EPA CompTox | DTXSID50176668 |
Structure
| InChI Key | DSXVZIOQROMOEF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H2Cl3N1S1 |
| Molecular Weight | 236.9 |
| AlogP | 4.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22134-07-2 |
| NORMAN SUSDAT | |
| FDA SRS | QL8U86ANF3 |
| PubChem | 123399 |
| ChemSpider | 109996.0 |
CONTENTS
