Molecule ID: mol23386

SMILES: CCc1ccc(C(C)CC(=O)O)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization