Molecule ID: mol31320

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

InChI: InChI=1S/C16H2F16O2/c17-3-1(4(18)8(22)11(25)7(3)21)13(33,15(27,28)29)14(34,16(30,31)32)2-5(19)9(23)12(26)10(24)6(2)20/h33-34H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization