| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JZ7CEV4HPK |
| EPA CompTox | DTXSID9048728 |
Structure
| InChI Key | RQNADZJRELIICT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16N3S1 |
| Molecular Weight | 270.11 |
| AlogP | 3.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.15 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 92-31-9 |
| NORMAN SUSDAT | |
| FDA SRS | JZ7CEV4HPK |
| ChemSpider | 19541092.0 |
CONTENTS
