Molecule ID: mol33787

SMILES: O=C(Nc1ccc(Cl)cc1)C(F)(F)F

InChI: InChI=1S/C8H5ClF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.25 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization