Molecule ID: mol18395

SMILES: O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)NC(c1ccccc1)c1ccccc1

InChI: InChI=1S/C31H31F3N4O/c32-31(33,34)26-11-13-28(14-12-26)38-20-15-23(22-38)21-37-18-16-27(17-19-37)35-30(39)36-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,20,22,27,29H,16-19,21H2,(H2,35,36,39)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization