Molecule ID: mol28420

SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)NCl)cc1

InChI: InChI=1S/C6H5ClN2O4S/c7-8-14(12,13)6-3-1-5(2-4-6)9(10)11/h1-4,8H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization