| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20867374 |
Structure
| InChI Key | YTARCXSUNGADNU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O4S1 |
| Molecular Weight | 180.05 |
| AlogP | -0.8 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67874-65-1 |
| NORMAN SUSDAT | |
| PubChem | 106934 |
| ChemSpider | 96224.0 |
CONTENTS
