Molecule ID: mol28719

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

InChI: InChI=1S/C13H11N3O5S/c17-13(14-10-6-8-11(9-7-10)16(18)19)15-22(20,21)12-4-2-1-3-5-12/h1-9H,(H2,14,15,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization