| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60233675 |
Structure
| InChI Key | OEZKDMYTQDZSAZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8O2S1 |
| Molecular Weight | 228.02 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84682-31-5 |
| NORMAN SUSDAT | |
| PubChem | 5743857 |
| ChemSpider | 4675540.0 |
CONTENTS
