| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JK1M930RJC |
| EPA CompTox | DTXSID8069301 |
Structure
| InChI Key | GFAOAYJTEVHTLA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O2S1 |
| Molecular Weight | 142.01 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59020-90-5 |
| NORMAN SUSDAT | |
| FDA SRS | JK1M930RJC |
| PubChem | 62144 |
| ChemSpider | 55975.0 |
CONTENTS
