| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BL3KXH5FFW |
| EPA CompTox | DTXSID30173615 |
Structure
| InChI Key | VWCFQNQVNVMFGV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H34O1S1 |
| Molecular Weight | 274.23 |
| AlogP | 5.46 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1986-89-6 |
| NORMAN SUSDAT | |
| FDA SRS | BL3KXH5FFW |
| PubChem | 74805 |
| ChemSpider | 67372.0 |
CONTENTS
