Molecule ID: mol22831

SMILES: O=C(O)c1c(F)c(F)nc(F)c1F

InChI: InChI=1S/C6HF4NO2/c7-2-1(6(12)13)3(8)5(10)11-4(2)9/h(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization