Molecule ID: mol28720

SMILES: O=C(Nc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization