Molecule ID: mol33821

SMILES: CCCCOC(=O)/C=C\C(=O)O

InChI: InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.45 QSARToolbox 0 » -1
4.63 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization