Molecule ID: mol28606

SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2)c1

InChI: InChI=1S/C13H12N2O4S/c16-15(17)12-7-4-8-13(9-12)20(18,19)14-10-11-5-2-1-3-6-11/h1-9,14H,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization