Molecule ID: mol33009

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

InChI: InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization