Molecule ID: mol1365

SMILES: Cc1cccc(O)c1C

InChI: InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.38 IUPAC digitized pKa 0 » -1
10.48 IUPAC digitized pKa 0 » -1
10.50 OCHEM 0 » -1
10.50 OCHEM 0 » -1
10.50 OCHEM 0 » -1
10.50 Hunt 0 » -1
10.50 OCHEM 0 » -1
10.50 OCHEM 0 » -1
10.50 QSARToolbox 0 » -1
10.51 Datawarrior 0 » -1
10.51 OCHEM 0 » -1
10.54 IUPAC digitized pKa 0 » -1
10.54 Organic Oxygen Acids and Nitrogen Bases 0 » -1
10.54 OCHEM 0 » -1
10.54 IUPAC digitized pKa 0 » -1
10.54 OCHEM 0 » -1
10.54 OCHEM 0 » -1
10.57 IUPAC digitized pKa 0 » -1
10.61 IUPAC digitized pKa 0 » -1
10.69 IUPAC digitized pKa 0 » -1
10.77 IUPAC digitized pKa 0 » -1
10.86 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization