Molecule ID: mol29831

SMILES: O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization