Molecule ID: mol31603

SMILES: O/N=C/c1ccc(C(F)(F)F)cc1

InChI: InChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-12-13/h1-5,13H/b12-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization