| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2OGT9W00FJ |
| EPA CompTox | DTXSID0067763 |
Structure
| InChI Key | SIXGMZJXZNKUIN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9N1S1 |
| Molecular Weight | 187.05 |
| AlogP | 3.23 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33399-48-3 |
| NORMAN SUSDAT | |
| FDA SRS | 2OGT9W00FJ |
| PubChem | 99184 |
| ChemSpider | 89606.0 |
CONTENTS
