Molecule ID: mol28525

SMILES: NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

InChI: InChI=1S/C7H5F3N2O4S/c8-7(9,10)5-3-4(17(11,15)16)1-2-6(5)12(13)14/h1-3H,(H2,11,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization