Molecule ID: mol36387
SMILES: O=C1CN=C(c2ccccc2F)c2cc(Cl)c(Cl)cc2N1
InChI: InChI=1S/C15H9Cl2FN2O/c16-10-5-9-13(6-11(10)17)20-14(21)7-19-15(9)8-3-1-2-4-12(8)18/h1-6H,7H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | QSARToolbox | 1 » 0 |
| 11.20 | QSARToolbox | 0 » -1 |