Molecule ID: mol16469

SMILES: COc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

InChI: InChI=1S/C27H35N5O2/c1-33-24-17-22-23(18-25(24)34-2)29-27(32-13-7-4-8-14-32)30-26(22)28-21-11-15-31(16-12-21)19-20-9-5-3-6-10-20/h3,5-6,9-10,17-18,21H,4,7-8,11-16,19H2,1-2H3,(H,28,29,30)

Experimental Macro pKa Values

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