Molecule ID: mol35100

SMILES: C[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)CC(O)(C(F)(F)F)O1

InChI: InChI=1S/C9H9F9O3/c1-4(7(10,11)12)2-5(19,8(13,14)15)3-6(20,21-4)9(16,17)18/h19-20H,2-3H2,1H3/t4-,5-,6?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.40 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization