Molecule ID: mol31006

SMILES: Oc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

InChI: InChI=1S/C11HF15O/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20/h27H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization