Molecule ID: mol28370

SMILES: CC(=O)NS(=O)(=O)c1ccccc1

InChI: InChI=1S/C8H9NO3S/c1-7(10)9-13(11,12)8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization