| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | GBFLZEXEOZUWRN-GSVOUGTGSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1O4S1 |
| Molecular Weight | 179.03 |
| AlogP | -0.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 100.62 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50698-76-5 |
| NORMAN SUSDAT |
CONTENTS
