Molecule ID: mol19778

SMILES: O=C(Nc1cccnc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.25 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization