Molecule ID: SM41

SMILES: CS(=O)(=O)Nc1cc(-c2ccccc2)on1

InChI: InChI=1S/C10H10N2O3S/c1-16(13,14)12-10-7-9(15-11-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.22 SAMPL7 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization