Molecule ID: mol23036

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

InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.00 AttenGpKa training set -1 » -2
2.42 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization