Molecule ID: mol2898

SMILES: Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1

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

Experimental Macro pKa Values

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