Molecule ID: mol28782

SMILES: O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccc(Cl)cc2)cc1

InChI: InChI=1S/C13H11ClN2O5S/c14-11-3-1-10(2-4-11)9-15-22(19,20)21-13-7-5-12(6-8-13)16(17)18/h1-8,15H,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization