| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60189941 |
Structure
| InChI Key | VSPDYEHKAMKDNW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N1O1S1 |
| Molecular Weight | 157.06 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 39.16 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36415-21-1 |
| NORMAN SUSDAT | |
| PubChem | 118970 |
| ChemSpider | 106311.0 |
CONTENTS
