Molecule ID: mol5596

SMILES: O=C(O)c1ccccc1Br

InChI: InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.81 QSARToolbox 0 » -1
2.81 QSARToolbox 0 » -1
2.81 QSARToolbox 0 » -1
2.85 QSARToolbox 0 » -1
2.85 QSARToolbox 0 » -1
2.85 OCHEM 0 » -1
2.85 OCHEM 0 » -1
2.86 QSARToolbox 0 » -1
2.86 QSARToolbox 0 » -1
2.88 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.93 Datawarrior 0 » -1
2.93 OCHEM 0 » -1
2.99 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization