| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8FGY868T0G |
| EPA CompTox | DTXSID8034956 |
Structure
| InChI Key | LQDARGUHUSPFNL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11Cl2F4N3O1 |
| Molecular Weight | 371.02 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 39.94 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112281-77-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8FGY868T0G |
| PubChem | 80277 |
| ChemSpider | 72518.0 |
CONTENTS
