Molecule ID: mol16485

SMILES: CN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3cc4c(cc3n2)OCO4)CC1

InChI: InChI=1S/C26H32N6O2/c1-30-11-13-32(14-12-30)26-28-22-16-24-23(33-18-34-24)15-21(22)25(29-26)27-20-7-9-31(10-8-20)17-19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17-18H2,1H3,(H,27,28,29)

Experimental Macro pKa Values

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