Molecule ID: mol16691

SMILES: N#Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl

InChI: InChI=1S/C14H8ClF3N2O2S/c15-12-6-5-10(7-9(12)8-19)20-23(21,22)13-4-2-1-3-11(13)14(16,17)18/h1-7,20H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization