| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20880240 |
Structure
| InChI Key | RJSWEHLKQSQEHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H4F13N1S1 |
| Molecular Weight | 404.99 |
| AlogP | 5.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 26650-09-9 |
| NORMAN SUSDAT | |
| PubChem | 11069505 |
| ChemSpider | 9244657.0 |
CONTENTS
