Molecule ID: mol31008

SMILES: O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2c(F)c(F)c(F)c(F)c21

InChI: InChI=1S/C20H6F6O5/c21-7-1-5-11(3-9(7)27)30-12-4-10(28)8(22)2-6(12)20(5)14-13(19(29)31-20)15(23)17(25)18(26)16(14)24/h1-4,27-28H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization