| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00333729 |
| InChI Key | VRJKEIWZSOHDOH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Cl1F1N2O2 |
| Molecular Weight | 189.99 |
| AlogP | 1.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 104222-34-6 |
| NORMAN SUSDAT | |
| PubChem | 517835 |
| ChemSpider | 451809.0 |