| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60487530 |
Structure
| InChI Key | UPZMYCMLLQTYEM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H17N1O2S1 |
| Molecular Weight | 227.1 |
| AlogP | 1.93 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 61638-09-3 |
| NORMAN SUSDAT | |
| PubChem | 12315927 |
| ChemSpider | 10438674.0 |
CONTENTS
