Molecule ID: mol22804

SMILES: O=C(O)c1ccccc1C(F)(F)F

InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization