Molecule ID: mol22218

SMILES: CC(O)CCC(=O)O

InChI: InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization