Molecule ID: mol22472

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

InChI: InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization