Molecule ID: mol33879
SMILES: O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1
InChI: InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.57 | QSARToolbox | 1 » 0 |
| 11.77 | QSARToolbox | 0 » -1 |