| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T7AQN86QSJ |
| EPA CompTox | DTXSID1063142 |
Structure
| InChI Key | JQZIKLPHXXBMCA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H16S1 |
| Molecular Weight | 276.1 |
| AlogP | 4.91 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3695-77-0 |
| NORMAN SUSDAT | |
| FDA SRS | T7AQN86QSJ |
| PubChem | 77281 |
| ChemSpider | 69703.0 |
CONTENTS
