Molecule ID: mol2773

SMILES: CC#CCn1c(N2CCNCC2)c(C#N)c2ncn(CC(=O)c3cccc(OC)c3)c(=O)c21

InChI: InChI=1S/C24H24N6O3/c1-3-4-10-30-22-21(19(14-25)23(30)28-11-8-26-9-12-28)27-16-29(24(22)32)15-20(31)17-6-5-7-18(13-17)33-2/h5-7,13,16,26H,8-12,15H2,1-2H3

Experimental Macro pKa Values

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