Molecule ID: mol31311

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

InChI: InChI=1S/C14HF13O/c15-3-1(4(16)8(20)11(23)7(3)19)13(28,14(25,26)27)2-5(17)9(21)12(24)10(22)6(2)18/h28H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization