| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NZ9ZV7U97 |
| EPA CompTox | DTXSID5069413 |
Structure
| InChI Key | AJXXZBRIJJPKSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl3N1S1 |
| Molecular Weight | 254.94 |
| AlogP | 4.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 60613-17-4 |
| NORMAN SUSDAT | |
| FDA SRS | 8NZ9ZV7U97 |
| PubChem | 108978 |
| ChemSpider | 98002.0 |
CONTENTS
