Molecule ID: mol28781

SMILES: O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccccc2Cl)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization