| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9069922 |
Structure
| InChI Key | DSJJEJHMVGHXTN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17N1O1S1 |
| Molecular Weight | 175.1 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63512-62-9 |
| NORMAN SUSDAT | |
| PubChem | 113320 |
| ChemSpider | 101559.0 |
CONTENTS
