| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F55XC7W6Y5 |
| EPA CompTox | DTXSID90173717 |
Structure
| InChI Key | FGVYCHQRRXDRAR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17N1S1 |
| Molecular Weight | 171.11 |
| AlogP | 3.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19942-78-0 |
| NORMAN SUSDAT | |
| FDA SRS | F55XC7W6Y5 |
| PubChem | 29864 |
| ChemSpider | 27750.0 |
CONTENTS
