Molecule ID: mol20499

SMILES: CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

InChI: InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)

Experimental Macro pKa Values

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