Molecule ID: mol19779

SMILES: O=C(Nc1cnccc1Cl)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C23H22Cl2N4O2/c24-18-4-6-19(7-5-18)31-20-3-1-2-17(14-20)16-28-10-12-29(13-11-28)23(30)27-22-15-26-9-8-21(22)25/h1-9,14-15H,10-13,16H2,(H,27,30)

Experimental Macro pKa Values

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