Molecule ID: mol28514

SMILES: CC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C9H8F3NO3S/c1-6(14)7-2-4-8(5-3-7)13-17(15,16)9(10,11)12/h2-5,13H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization