| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | JCUTZUSPPNNLDC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8O4S1 |
| Molecular Weight | 248.01 |
| AlogP | 2.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 95232-68-1 |
| NORMAN SUSDAT |
CONTENTS
