| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9FS76HFF04 |
| EPA CompTox | DTXSID5058012 |
Structure
| InChI Key | YRRBXJLFCBCKNW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18N2O1S1 |
| Molecular Weight | 190.11 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 35.83 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19622-08-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9FS76HFF04 |
| PubChem | 29697 |
| ChemSpider | 27597.0 |
CONTENTS
