Molecule ID: mol28740

SMILES: O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F

InChI: InChI=1S/C8H4ClF6NO2S/c9-4-1-2-6(5(3-4)7(10,11)12)16-19(17,18)8(13,14)15/h1-3,16H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.59 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization