Molecule ID: mol23388

SMILES: CC(C)C(CC(=O)O)c1ccccc1

InChI: InChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization