Molecule ID: mol16694

SMILES: O=S(=O)(Nc1cncc(C(F)(F)F)c1)c1ccccc1C(F)(F)F

InChI: InChI=1S/C13H8F6N2O2S/c14-12(15,16)8-5-9(7-20-6-8)21-24(22,23)11-4-2-1-3-10(11)13(17,18)19/h1-7,21H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization