Molecule ID: mol16467

SMILES: COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

InChI: InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)

Experimental Macro pKa Values

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