Molecule ID: mol28607

SMILES: CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1-c1ccccc1

InChI: InChI=1S/C13H12N2O4S/c1-20(18,19)14-13-8-7-11(15(16)17)9-12(13)10-5-3-2-4-6-10/h2-9,14H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization