| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20164375 |
Structure
| InChI Key | VSKAJYQVWVOVRT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O6S3 |
| Molecular Weight | 314.0 |
| AlogP | -0.23 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 78.9 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14974-53-9 |
| NORMAN SUSDAT | |
| PubChem | 84738 |
| ChemSpider | 76442.0 |
CONTENTS
