Molecule ID: mol23556

SMILES: CC(CC(=O)O)c1cccc(C(F)(F)F)c1

InChI: InChI=1S/C11H11F3O2/c1-7(5-10(15)16)8-3-2-4-9(6-8)11(12,13)14/h2-4,6-7H,5H2,1H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization