| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10917892 |
Structure
| InChI Key | ICKUQBKYPDFCFJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O4S |
| Molecular Weight | 318.19 |
| AlogP | 3.82 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93803-45-3 |
| NORMAN SUSDAT | |
| PubChem | 3022402 |
CONTENTS
