Molecule ID: mol2824

SMILES: CN(CCO)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F

InChI: InChI=1S/C13H15F3N4O5S/c1-19(3-4-21)10-5-7-9(6-8(10)13(14,15)16)17-12(23)20(11(7)22)18-26(2,24)25/h5-6,18,21H,3-4H2,1-2H3,(H,17,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 Novartis -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization