Molecule ID: mol2780

SMILES: CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1

InChI: InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)

Experimental Macro pKa Values

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