Molecule ID: mol23387

SMILES: CCC(CC(=O)O)c1ccc(C)cc1

InChI: InChI=1S/C12H16O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization