Molecule ID: mol2922

SMILES: Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1

InChI: InChI=1S/C23H27N5O/c1-17-7-11-24-22(26-17)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-18-15-25-20-6-3-2-5-19(18)20/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.20 Novartis 1 » 0
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Charge States and Microspecies Visualization