| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z8ANL9B54I |
| EPA CompTox | DTXSID6024674 |
Structure
| InChI Key | JVGPVVUTUMQJKL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17N1O2S1 |
| Molecular Weight | 203.1 |
| AlogP | 2.03 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 42.25 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112-56-1 |
| NORMAN SUSDAT | |
| FDA SRS | Z8ANL9B54I |
| PubChem | 8196 |
| ChemSpider | 7904.0 |
CONTENTS
