| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XN1XVI4B2C |
| EPA CompTox | DTXSID20186012 |
Structure
| InChI Key | QEFRNWWLZKMPFJ-YGVKFDHGSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11N1O3S1 |
| Molecular Weight | 165.05 |
| AlogP | -0.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3226-65-1 |
| NORMAN SUSDAT | |
| FDA SRS | XN1XVI4B2C |
| ChemSpider | 824.0 |
CONTENTS
