Molecule ID: mol22257

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

InChI: InChI=1S/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization