| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YKN5X2W3BJ |
| EPA CompTox | DTXSID60178810 |
Structure
| InChI Key | OUNLDCIYHQIIQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H14O1S1 |
| Molecular Weight | 242.08 |
| AlogP | 3.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2408-88-0 |
| NORMAN SUSDAT | |
| FDA SRS | YKN5X2W3BJ |
| PubChem | 75479 |
| ChemSpider | 68008.0 |
CONTENTS
