| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40193329 |
Structure
| InChI Key | FBPINGSGHKXIQA-BYPYZUCNSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N1O4S1 |
| Molecular Weight | 193.04 |
| AlogP | -0.39 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 100.62 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4033-46-9 |
| NORMAN SUSDAT | |
| PubChem | 23618202 |
| ChemSpider | 19955529.0 |
CONTENTS
