Molecule ID: mol16861

SMILES: Clc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C23H22ClN3O2/c24-17-4-6-18(7-5-17)29-19-8-9-21-22(10-13-27-23(21)15-19)26-12-2-11-25-16-20-3-1-14-28-20/h1,3-10,13-15,25H,2,11-12,16H2,(H,26,27)

Experimental Macro pKa Values

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