Molecule ID: mol2906

SMILES: Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

InChI: InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

Experimental Macro pKa Values

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