Molecule ID: mol33903
SMILES: O=C1CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc2N1
InChI: InChI=1S/C16H11F3N2O/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | QSARToolbox | 1 » 0 |
| 11.68 | QSARToolbox | 0 » -1 |