| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 740J2QX53R |
| EPA CompTox | DTXSID30110060 |
Structure
| InChI Key | GBFLZEXEOZUWRN-VKHMYHEASA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9NO4S |
| Molecular Weight | 179.2 |
| AlogP | -0.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 100.62 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16163 |
| ChEMBL | CHEMBL396416 |
| DrugBank | DB04339 |
| DrugCentral | 4160 |
| FDA SRS | 740J2QX53R |
| KEGG | C03727 |
| PDB | CCS |
| PubChem | 193653 |
| SureChEMBL | SCHEMBL20854 |
| ZINC | ZINC000001529732 |
CONTENTS
