Molecule ID: mol24079

SMILES: Nc1ccccc1C(F)(C(F)(F)F)C(F)(F)F

InChI: InChI=1S/C9H6F7N/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h1-4H,17H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization