| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4QQ887QUG7 |
| EPA CompTox | DTXSID70194425 |
Structure
| InChI Key | KYVBFEMQEUXVQB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10O2S1 |
| Molecular Weight | 218.04 |
| AlogP | 2.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4160-63-8 |
| NORMAN SUSDAT | |
| FDA SRS | 4QQ887QUG7 |
| PubChem | 77812 |
| ChemSpider | 70208.0 |
CONTENTS
