Molecule ID: mol30994

SMILES: O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F

InChI: InChI=1S/C20H8F4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization