Molecule ID: mol36309

SMILES: O=C(O)Cc1ccc(SC(F)(F)F)cc1

InChI: InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.36 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization