Molecule ID: mol20497

SMILES: Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1

InChI: InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.52 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization