| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50188468 |
Structure
| InChI Key | ZBNBQISDCFIEQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O6S3 |
| Molecular Weight | 285.96 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 111.9 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34914-39-1 |
| NORMAN SUSDAT | |
| PubChem | 65787 |
CONTENTS
