| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | OMDLJUUFLOVMQL-ONEGZZNKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O4S1 |
| Molecular Weight | 228.05 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63589-56-0 |
| NORMAN SUSDAT |
CONTENTS
