Molecule ID: mol1729

SMILES: Nc1ccc(SC(F)(F)F)cc1

InChI: InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.78 IUPAC digitized pKa 1 » 0
2.78 Hunt 1 » 0
2.78 AttenGpKa training set 1 » 0
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Charge States and Microspecies Visualization