Molecule ID: mol6070

SMILES: Nc1ccc(S(F)(F)(F)(F)F)cc1

InChI: InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.17 IUPAC digitized pKa 1 » 0
2.37 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization