| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W4KB8SL4N7 |
| EPA CompTox | DTXSID40198778 |
Structure
| InChI Key | BANFORNDDZWGFX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H30O2S1 |
| Molecular Weight | 274.2 |
| AlogP | 4.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50727-78-1 |
| NORMAN SUSDAT | |
| FDA SRS | W4KB8SL4N7 |
| PubChem | 3016551 |
| ChemSpider | 2284482.0 |
CONTENTS
