Molecule ID: mol36384
SMILES: O=C1CN=C(c2c(F)cccc2F)c2ccc(Cl)cc2N1
InChI: InChI=1S/C15H9ClF2N2O/c16-8-4-5-9-12(6-8)20-13(21)7-19-15(9)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.95 | QSARToolbox | 1 » 0 |
| 11.36 | QSARToolbox | 0 » -1 |