Molecule ID: mol2786

SMILES: CC(C)(C)Cn1c(Cc2ccc(NS(N)(=O)=O)cc2)cc2cnc(C#N)nc21

InChI: InChI=1S/C19H22N6O2S/c1-19(2,3)12-25-16(9-14-11-22-17(10-20)23-18(14)25)8-13-4-6-15(7-5-13)24-28(21,26)27/h4-7,9,11,24H,8,12H2,1-3H3,(H2,21,26,27)

Experimental Macro pKa Values

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