| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60380390 |
Structure
| InChI Key | KJGYBFLEIPDFNQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H2F12O3S1 |
| Molecular Weight | 381.95 |
| AlogP | 3.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79963-95-4 |
| NORMAN SUSDAT | |
| PubChem | 2777144 |
| ChemSpider | 2057434.0 |
CONTENTS
