| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00240242 |
Structure
| InChI Key | HRVQAYSAODWHDV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O2S1 |
| Molecular Weight | 185.05 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94021-41-7 |
| NORMAN SUSDAT | |
| PubChem | 539363 |
| ChemSpider | 469681.0 |
CONTENTS
