Molecule ID: mol38182

SMILES: CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(F)ccc21

InChI: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.98 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization