| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1LNJ91K65X |
| EPA CompTox | DTXSID90227380 |
Structure
| InChI Key | OHJFDYDPHXVQBC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H15N1S1 |
| Molecular Weight | 169.09 |
| AlogP | 3.1 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76572-48-0 |
| NORMAN SUSDAT | |
| FDA SRS | 1LNJ91K65X |
CONTENTS
