Molecule ID: mol1725

SMILES: Nc1ccccc1OC(F)(F)F

InChI: InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization