Molecule ID: mol19827

SMILES: CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C

InChI: InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.60 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization