Molecule ID: mol2903

SMILES: Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1

InChI: InChI=1S/C25H31N7O/c1-18-16-19(2)27-24(26-18)31-14-11-25(12-15-31)10-7-13-32(23(25)33)17-21-22(29-30(3)28-21)20-8-5-4-6-9-20/h4-6,8-9,16H,7,10-15,17H2,1-3H3

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