| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20177743 |
Structure
| InChI Key | MAHMRCJOZYLGOW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O1S1 |
| Molecular Weight | 179.04 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 21.59 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23163-84-0 |
| NORMAN SUSDAT | |
| PubChem | 123407 |
| ChemSpider | 110004.0 |
CONTENTS
