Molecule ID: mol31447

SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1

InChI: InChI=1S/C6H6N2O5S/c9-7-14(12,13)6-3-1-2-5(4-6)8(10)11/h1-4,7,9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization