Molecule ID: mol36078

SMILES: CN(C)C(=O)NS(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21

InChI: InChI=1S/C19H19FN6O4S/c1-25(2)19(28)24-31(29,30)26-16-9-12(6-7-15(16)23-18(26)22)14(10-17(21)27)11-4-3-5-13(20)8-11/h3-10H,1-2H3,(H2,21,27)(H2,22,23)(H,24,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.41 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization