Molecule ID: mol22515

SMILES: O=C(O)C1CC1(F)c1ccc(S(F)(F)(F)(F)F)cc1

InChI: InChI=1S/C10H8F6O2S/c11-10(5-8(10)9(17)18)6-1-3-7(4-2-6)19(12,13,14,15)16/h1-4,8H,5H2,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization