Molecule ID: mol2872

SMILES: COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCNCC4)n(CC=C(C)C)c3c2=O)c1

InChI: InChI=1S/C25H28N6O3/c1-17(2)7-10-31-23-22(20(14-26)24(31)29-11-8-27-9-12-29)28-16-30(25(23)33)15-21(32)18-5-4-6-19(13-18)34-3/h4-7,13,16,27H,8-12,15H2,1-3H3

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