Molecule ID: mol1853

SMILES: Oc1ccccc1

InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.49 IUPAC digitized pKa 0 » -1
9.54 IUPAC digitized pKa 0 » -1
9.55 IUPAC digitized pKa 0 » -1
9.55 QSARToolbox 0 » -1
9.55 QSARToolbox 0 » -1
9.59 IUPAC digitized pKa 0 » -1
9.64 IUPAC digitized pKa 0 » -1
9.66 IUPAC digitized pKa 0 » -1
9.69 QSARToolbox 0 » -1
9.69 QSARToolbox 0 » -1
9.69 IUPAC digitized pKa 0 » -1
9.74 IUPAC digitized pKa 0 » -1
9.78 IUPAC digitized pKa 0 » -1
9.78 IUPAC digitized pKa 0 » -1
9.78 IUPAC digitized pKa 0 » -1
9.79 IUPAC digitized pKa 0 » -1
9.80 IUPAC digitized pKa 0 » -1
9.80 IUPAC digitized pKa 0 » -1
9.82 QSARToolbox 0 » -1
9.82 QSARToolbox 0 » -1
9.85 IUPAC digitized pKa 0 » -1
9.85 IUPAC digitized pKa 0 » -1
9.86 QSARToolbox 0 » -1
9.86 IUPAC digitized pKa 0 » -1
9.88 QSARToolbox 0 » -1
9.88 QSARToolbox 0 » -1
9.88 QSARToolbox 0 » -1
9.88 QSARToolbox 0 » -1
9.88 QSARToolbox 0 » -1
9.88 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 QSARToolbox 0 » -1
9.90 IUPAC digitized pKa 0 » -1
9.90 Datawarrior 0 » -1
9.91 QSARToolbox 0 » -1
9.91 QSARToolbox 0 » -1
9.92 IUPAC digitized pKa 0 » -1
9.92 QSARToolbox 0 » -1
9.92 QSARToolbox 0 » -1
9.92 QSARToolbox 0 » -1
9.92 QSARToolbox 0 » -1
9.94 QSARToolbox 0 » -1
9.94 QSARToolbox 0 » -1
9.94 QSARToolbox 0 » -1
9.94 QSARToolbox 0 » -1
9.94 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 QSARToolbox 0 » -1
9.95 IUPAC digitized pKa 0 » -1
9.96 QSARToolbox 0 » -1
9.96 QSARToolbox 0 » -1
9.97 IUPAC digitized pKa 0 » -1
9.97 Datawarrior 0 » -1
9.97 QSARToolbox 0 » -1
9.97 QSARToolbox 0 » -1
9.97 QSARToolbox 0 » -1
9.97 QSARToolbox 0 » -1
9.97 QSARToolbox 0 » -1
9.98 QSARToolbox 0 » -1
9.98 QSARToolbox 0 » -1
9.98 QSARToolbox 0 » -1
9.98 IUPAC digitized pKa 0 » -1
9.98 IUPAC digitized pKa 0 » -1
9.98 OCHEM 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 QSARToolbox 0 » -1
9.99 Organic Oxygen Acids and Nitrogen Bases 0 » -1
9.99 Hunt 0 » -1
9.99 OCHEM 0 » -1
9.99 IUPAC digitized pKa 0 » -1
9.99 OCHEM 0 » -1
9.99 OCHEM 0 » -1
10.00 IUPAC digitized pKa 0 » -1
10.00 QSARToolbox 0 » -1
10.00 QSARToolbox 0 » -1
10.00 QSARToolbox 0 » -1
10.00 QSARToolbox 0 » -1
10.00 QSARToolbox 0 » -1
10.00 QSARToolbox 0 » -1
10.01 QSARToolbox 0 » -1
10.01 QSARToolbox 0 » -1
10.02 IUPAC digitized pKa 0 » -1
10.02 QSARToolbox 0 » -1
10.02 QSARToolbox 0 » -1
10.04 IUPAC digitized pKa 0 » -1
10.09 IUPAC digitized pKa 0 » -1
10.17 IUPAC digitized pKa 0 » -1
10.17 QSARToolbox 0 » -1
10.24 QSARToolbox 0 » -1
10.24 QSARToolbox 0 » -1
10.25 IUPAC digitized pKa 0 » -1
10.26 QSARToolbox 0 » -1
10.26 QSARToolbox 0 » -1
10.33 IUPAC digitized pKa 0 » -1
10.44 QSARToolbox 0 » -1
10.45 QSARToolbox 0 » -1
10.45 QSARToolbox 0 » -1
10.48 QSARToolbox 0 » -1
10.48 QSARToolbox 0 » -1
10.62 QSARToolbox 0 » -1
10.62 QSARToolbox 0 » -1
10.62 QSARToolbox 0 » -1
10.62 QSARToolbox 0 » -1
10.62 IUPAC digitized pKa 0 » -1
10.64 QSARToolbox 0 » -1
10.64 QSARToolbox 0 » -1
10.81 QSARToolbox 0 » -1
10.81 QSARToolbox 0 » -1
10.81 QSARToolbox 0 » -1
10.90 QSARToolbox 0 » -1
10.90 QSARToolbox 0 » -1
11.12 QSARToolbox 0 » -1
11.21 QSARToolbox 0 » -1
11.21 QSARToolbox 0 » -1
11.21 QSARToolbox 0 » -1
11.22 QSARToolbox 0 » -1
11.22 QSARToolbox 0 » -1
11.51 QSARToolbox 0 » -1
11.51 QSARToolbox 0 » -1
11.55 QSARToolbox 0 » -1
12.03 QSARToolbox 0 » -1
12.44 QSARToolbox 0 » -1
12.44 QSARToolbox 0 » -1
12.44 QSARToolbox 0 » -1
12.50 QSARToolbox 0 » -1
13.38 QSARToolbox 0 » -1
13.52 QSARToolbox 0 » -1
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