Molecule ID: mol10527

SMILES: Cc1cccc(Cl)c1C(=O)O

InChI: InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.43 QSARToolbox 0 » -1
2.43 QSARToolbox 0 » -1
2.59 OCHEM 0 » -1
2.59 Datawarrior 0 » -1
2.59 AttenGpKa training set 0 » -1
2.75 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.75 OCHEM 0 » -1
2.75 OCHEM 0 » -1
2.75 OCHEM 0 » -1
2.75 OCHEM 0 » -1
2.75 OCHEM 0 » -1
2.75 QSARToolbox 0 » -1
2.75 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization