Molecule ID: mol32059

SMILES: CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1cccc(I)c1

InChI: InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-6-5-10(16(17)18)8-13(12)21-11-4-2-3-9(14)7-11/h2-8,15H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.74 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization