| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2YFC543249 |
| EPA CompTox | DTXSID5048552 |
Structure
| InChI Key | QAXBVGVYDCAVLV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17N1O1S1 |
| Molecular Weight | 223.1 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.1 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14176-49-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2YFC543249 |
| PubChem | 26533 |
| ChemSpider | 24714.0 |
CONTENTS
