Molecule ID: mol11923

SMILES: Cc1cccc(NS(=O)(=O)c2ccc(N)cc2)c1

InChI: InChI=1S/C13H14N2O2S/c1-10-3-2-4-12(9-10)15-18(16,17)13-7-5-11(14)6-8-13/h2-9,15H,14H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.11 AttenGpKa training set 1 » 0
9.05 IUPAC digitized pKa 0 » -1
9.40 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization