Molecule ID: mol28693

SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1

InChI: InChI=1S/C12H9ClN2O4S/c13-9-3-1-4-10(7-9)14-20(18,19)12-6-2-5-11(8-12)15(16)17/h1-8,14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization