Molecule ID: mol2900

SMILES: Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1

InChI: InChI=1S/C25H30N6O2/c1-17-15-18(2)27-24(26-17)30-13-10-25(11-14-30)9-6-12-31(23(25)32)16-20-7-4-5-8-21(20)22-28-19(3)29-33-22/h4-5,7-8,15H,6,9-14,16H2,1-3H3

Experimental Macro pKa Values

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