Molecule ID: mol28739

SMILES: O=S(=O)(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F

InChI: InChI=1S/C7H3Cl3F3NO2S/c8-3-1-4(9)6(5(10)2-3)14-17(15,16)7(11,12)13/h1-2,14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization