Molecule ID: mol22221

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

InChI: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.65 OCHEM 0 » -1
4.65 AttenGpKa training set 0 » -1
4.65 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization