Molecule ID: mol31275

SMILES: OC(O)(c1cccc(Br)c1)C(F)(F)F

InChI: InChI=1S/C8H6BrF3O2/c9-6-3-1-2-5(4-6)7(13,14)8(10,11)12/h1-4,13-14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization