| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30213040 |
Structure
| InChI Key | OGQPUWXIKANIBH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O5S2 |
| Molecular Weight | 240.01 |
| AlogP | -0.71 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63657-12-5 |
| NORMAN SUSDAT | |
| PubChem | 6454685 |
| ChemSpider | 4956994.0 |
CONTENTS
