Molecule ID: mol22268

SMILES: CC(O)C(Cl)C(=O)O

InChI: InChI=1S/C4H7ClO3/c1-2(6)3(5)4(7)8/h2-3,6H,1H3,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.58 QSARToolbox 0 » -1
2.58 QSARToolbox 0 » -1
2.58 OCHEM 0 » -1
2.59 AttenGpKa training set 0 » -1
2.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization