| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00175565 |
Structure
| InChI Key | MINKMXOCFYGGKA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7N1S1 |
| Molecular Weight | 161.03 |
| AlogP | 2.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21298-55-5 |
| NORMAN SUSDAT | |
| PubChem | 88862 |
| ChemSpider | 80182.0 |
CONTENTS
