Molecule ID: mol36280
SMILES: O=C1CN=C(c2cccc(C(F)(F)F)c2)c2ccccc2N1
InChI: InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-4-10(8-11)15-12-6-1-2-7-13(12)21-14(22)9-20-15/h1-8H,9H2,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.22 | QSARToolbox | 1 » 0 |
| 12.26 | QSARToolbox | 0 » -1 |