| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00998019 |
Structure
| InChI Key | VXRVZVNWVDJRGL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12NO4S |
| Molecular Weight | 229.04 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 77.28 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76697-43-3 |
| NORMAN SUSDAT | |
| PubChem | 3018669 |
CONTENTS
