| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9P5V5Q6PMA |
| EPA CompTox | DTXSID10965131 |
Structure
| InChI Key | AFYCAIBLAZNEIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12O2S |
| Molecular Weight | 232.06 |
| AlogP | 3.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50893-37-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9P5V5Q6PMA |
| PubChem | 3016572 |
CONTENTS
