| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9066675 |
Structure
| InChI Key | GCOOGCQWQFRJEK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O4S1 |
| Molecular Weight | 186.0 |
| AlogP | 1.0 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21080-92-2 |
| NORMAN SUSDAT | |
| PubChem | 88782 |
| ChemSpider | 80112.0 |
CONTENTS
