Molecule ID: mol12444

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

InChI: InChI=1S/C6H10O2/c1-5(2)6(8)3-4-7/h4-5H,3H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.68 OCHEM 0 » -1
6.68 QSARToolbox 0 » -1
6.68 QSARToolbox 0 » -1
6.68 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization