Molecule ID: mol2899

SMILES: Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1

InChI: InChI=1S/C24H29N5O/c1-17-14-18(2)27-23(26-17)28-12-9-24(10-13-28)8-5-11-29(22(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3

Experimental Macro pKa Values

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