Molecule ID: mol7926

SMILES: FC(F)(F)c1ccc2ncncc2c1

InChI: InChI=1S/C9H5F3N2/c10-9(11,12)7-1-2-8-6(3-7)4-13-5-14-8/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization