Molecule ID: mol14106

SMILES: O=C(O)C(F)c1ccccc1

InChI: InChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.03 AttenGpKa training set 0 » -1
2.33 QSARToolbox 0 » -1
2.33 QSARToolbox 0 » -1
2.45 Datawarrior 0 » -1
2.45 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization