| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WAH5515N4U |
| EPA CompTox | DTXSID10869766 |
| InChI Key | YHKBGVDUSSWOAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10Cl2F3N3O3 |
| Molecular Weight | 383.01 |
| AlogP | 2.76 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 77.12 |
| Heavy Atoms | 24.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 128621-72-7 |
| NORMAN SUSDAT | |
| FDA SRS | WAH5515N4U |
| PubChem | 443229 |
| ChemSpider | 391493.0 |