Molecule ID: mol23582

SMILES: CC(CC(=O)O)c1ccc(-c2ccccc2)cc1

InChI: InChI=1S/C16H16O2/c1-12(11-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization