Molecule ID: mol10033

SMILES: O=C(O)c1ccc(Cl)cc1Cl

InChI: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.68 IUPAC digitized pKa 0 » -1
2.68 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.68 OCHEM 0 » -1
2.68 OCHEM 0 » -1
2.68 OCHEM 0 » -1
2.68 OCHEM 0 » -1
2.68 QSARToolbox 0 » -1
2.68 QSARToolbox 0 » -1
2.68 QSARToolbox 0 » -1
2.74 Datawarrior 0 » -1
2.74 OCHEM 0 » -1
2.74 AttenGpKa training set 0 » -1
2.75 IUPAC digitized pKa 0 » -1
2.75 QSARToolbox 0 » -1
2.76 OCHEM 0 » -1
2.76 QSARToolbox 0 » -1
2.76 QSARToolbox 0 » -1
2.76 QSARToolbox 0 » -1
2.76 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization