| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NGM45CHM2F |
| EPA CompTox | DTXSID30193732 |
Structure
| InChI Key | GHOVLEQTRNXASK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O3S1 |
| Molecular Weight | 184.02 |
| AlogP | 1.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4075-58-5 |
| NORMAN SUSDAT | |
| FDA SRS | NGM45CHM2F |
| PubChem | 77693 |
| ChemSpider | 70094.0 |
CONTENTS
