Molecule ID: mol33874
SMILES: O=C1CN=C(c2ccccc2)c2cc(F)ccc2N1
InChI: InChI=1S/C15H11FN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | QSARToolbox | 1 » 0 |
| 12.14 | QSARToolbox | 0 » -1 |