Molecule ID: mol10731

SMILES: O=C(CC(=O)C(F)(F)F)c1cccs1

InChI: InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.20 IUPAC digitized pKa 0 » -1
6.22 QSARToolbox 0 » -1
6.31 OCHEM 0 » -1
6.31 Datawarrior 0 » -1
6.32 AttenGpKa training set 0 » -1
6.35 QSARToolbox 0 » -1
6.35 QSARToolbox 0 » -1
6.38 QSARToolbox 0 » -1
6.53 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization