Molecule ID: mol2901

SMILES: Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1

InChI: InChI=1S/C25H31N5O/c1-18-15-19(2)27-24(26-18)29-13-10-25(11-14-29)9-6-12-30(23(25)31)17-20-16-28(3)22-8-5-4-7-21(20)22/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3

Experimental Macro pKa Values

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