Molecule ID: mol2011

SMILES: Oc1c(Cl)cc(Br)cc1Cl

InChI: InChI=1S/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.21 IUPAC digitized pKa 0 » -1
6.21 Organic Oxygen Acids and Nitrogen Bases 0 » -1
6.21 OCHEM 0 » -1
6.21 OCHEM 0 » -1
6.21 OCHEM 0 » -1
6.21 OCHEM 0 » -1
6.21 Hunt 0 » -1
6.21 OCHEM 0 » -1
6.21 OCHEM 0 » -1
6.21 OCHEM 0 » -1
6.21 QSARToolbox 0 » -1
6.21 QSARToolbox 0 » -1
6.24 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization