Molecule ID: mol3025

SMILES: O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1O

InChI: InChI=1S/C15H10ClF3N2O2/c16-10-2-4-13(22)8(5-10)7-21-12-3-1-9(15(17,18)19)6-11(12)20-14(21)23/h1-6,22H,7H2,(H,20,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.75 Novartis -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization