Molecule ID: mol19826

SMILES: CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C

InChI: InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27)

Experimental Macro pKa Values

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