| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X294K8K2PF |
| EPA CompTox | DTXSID801024431 |
Structure
| InChI Key | YTGJWQPHMWSCST-GSVOUGTGSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1O3S1 |
| Molecular Weight | 163.03 |
| AlogP | 0.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.89 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29335-92-0 |
| NORMAN SUSDAT | |
| FDA SRS | X294K8K2PF |
CONTENTS
