| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H051V8LJ93 |
Structure
| InChI Key | PDUXMHXBBXXJFQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H14O4S1 |
| Molecular Weight | 266.06 |
| AlogP | 3.4 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 97852-72-7 |
| NORMAN SUSDAT | |
| FDA SRS | H051V8LJ93 |
CONTENTS
