Molecule ID: mol19782

SMILES: O=C(Nc1ccon1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C21H21ClN4O3/c22-17-4-6-18(7-5-17)29-19-3-1-2-16(14-19)15-25-9-11-26(12-10-25)21(27)23-20-8-13-28-24-20/h1-8,13-14H,9-12,15H2,(H,23,24,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.97 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization