| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TMD9BW7WU5 |
| EPA CompTox | DTXSID10212511 |
Structure
| InChI Key | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12O1S1 |
| Molecular Weight | 216.06 |
| AlogP | 3.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6317-56-2 |
| NORMAN SUSDAT | |
| FDA SRS | TMD9BW7WU5 |
| PubChem | 80593 |
| ChemSpider | 64182.0 |
CONTENTS
