Molecule ID: mol36281
SMILES: O=C1CN=C(c2ccccc2C(F)(F)F)c2cc(Cl)ccc2N1
InChI: InChI=1S/C16H10ClF3N2O/c17-9-5-6-13-11(7-9)15(21-8-14(23)22-13)10-3-1-2-4-12(10)16(18,19)20/h1-7H,8H2,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.73 | QSARToolbox | 1 » 0 |
| 11.95 | QSARToolbox | 0 » -1 |