| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VE6KP18S8X |
| EPA CompTox | DTXSID9023544 |
Structure
| InChI Key | WDYYVNNRTDZKAZ-XDHOZWIPSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22Cl1N1 |
| Molecular Weight | 311.14 |
| AlogP | 5.06 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 3.24 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 91-82-7 |
| NORMAN SUSDAT | |
| FDA SRS | VE6KP18S8X |
| PubChem | 5284614 |
| ChemSpider | 4447659.0 |
CONTENTS
