Molecule ID: mol24128

SMILES: O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)cc1

InChI: InChI=1S/C13H9F3N2O2/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(7-5-10)18(19)20/h1-8,17H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization