Molecule ID: mol28817

SMILES: O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1

InChI: InChI=1S/C13H10Cl2N2O5S/c14-10-2-1-9(13(15)7-10)8-16-23(20,21)22-12-5-3-11(4-6-12)17(18)19/h1-7,16H,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization