Molecule ID: mol36296
SMILES: O=C1CN=C(c2ccc(F)cc2)c2ccccc2N1
InChI: InChI=1S/C15H11FN2O/c16-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)18-14(19)9-17-15/h1-8H,9H2,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.01 | QSARToolbox | 1 » 0 |
| 12.31 | QSARToolbox | 0 » -1 |