Molecule ID: mol13475

SMILES: CCC(CC(C)C)OO

InChI: InChI=1S/C7H16O2/c1-4-7(9-8)5-6(2)3/h6-8H,4-5H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.80 Datawarrior 0 » -1
12.80 OCHEM 0 » -1
12.80 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization