| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q3O421Q24K |
| EPA CompTox | DTXSID00166130 |
Structure
| InChI Key | NDUWJHRKDYXRAD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N1O1S1 |
| Molecular Weight | 129.02 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15679-19-3 |
| NORMAN SUSDAT | |
| FDA SRS | Q3O421Q24K |
| PubChem | 61809 |
| ChemSpider | 55689.0 |
CONTENTS
