Molecule ID: mol16692

SMILES: O=S(=O)(Nc1cncc(Br)c1)c1ccccc1C(F)(F)F

InChI: InChI=1S/C12H8BrF3N2O2S/c13-8-5-9(7-17-6-8)18-21(19,20)11-4-2-1-3-10(11)12(14,15)16/h1-7,18H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.30 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization