Molecule ID: mol16470

SMILES: COc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

InChI: InChI=1S/C31H37N7O2/c1-39-27-20-25-26(21-28(27)40-2)34-31(38-18-16-37(17-19-38)29-10-6-7-13-32-29)35-30(25)33-24-11-14-36(15-12-24)22-23-8-4-3-5-9-23/h3-10,13,20-21,24H,11-12,14-19,22H2,1-2H3,(H,33,34,35)

Experimental Macro pKa Values

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