Molecule ID: mol16516

SMILES: CN1Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CCCCN4)cc3)ccc2C1=O

InChI: InChI=1S/C24H26N4O2/c1-28-15-19-13-18(9-10-21(19)24(28)30)17-7-5-16(6-8-17)12-20(14-25)27-23(29)22-4-2-3-11-26-22/h5-10,13,20,22,26H,2-4,11-12,15H2,1H3,(H,27,29)/t20-,22-/m0/s1

Experimental Macro pKa Values

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