Molecule ID: mol36295
SMILES: O=C1CN=C(c2ccc(F)cc2)c2cc(Cl)ccc2N1
InChI: InChI=1S/C15H10ClFN2O/c16-10-3-6-13-12(7-10)15(18-8-14(20)19-13)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | QSARToolbox | 1 » 0 |
| 12.07 | QSARToolbox | 0 » -1 |