Molecule ID: mol16472

SMILES: CN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1

InChI: InChI=1S/C23H30N6O/c1-27-12-14-29(15-13-27)23-25-20-9-16-30-21(20)22(26-23)24-19-7-10-28(11-8-19)17-18-5-3-2-4-6-18/h2-6,9,16,19H,7-8,10-15,17H2,1H3,(H,24,25,26)

Experimental Macro pKa Values

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