Molecule ID: mol6069

SMILES: Nc1cccc(S(F)(F)(F)(F)F)c1

InChI: InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.82 QSARToolbox 1 » 0
2.82 IUPAC digitized pKa 1 » 0
2.88 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization