Molecule ID: mol30835

SMILES: O=[N+]([O-])c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O

InChI: InChI=1S/C6H4N2O8S/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13/h1-2,9H,(H,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.50 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization