Molecule ID: mol21738

SMILES: O=C(O)c1c(F)cccc1F

InChI: InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.27 QSARToolbox 0 » -1
2.27 AttenGpKa training set 0 » -1
2.85 QSARToolbox 0 » -1
2.85 Organic Oxygen Acids and Nitrogen Bases 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization