Molecule ID: mol28242

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

InChI: InChI=1S/C8H5F3OS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization