Molecule ID: mol18204

SMILES: O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(Cc2ccncc2)CC1

InChI: InChI=1S/C25H26FN3O2/c26-22-6-4-20(5-7-22)18-31-24-3-1-2-23(16-24)28-25(30)21-10-14-29(15-11-21)17-19-8-12-27-13-9-19/h1-9,12-13,16,21H,10-11,14-15,17-18H2,(H,28,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.30 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization