Molecule ID: mol23454

SMILES: Cc1ccc(C(CC(=O)O)C(C)C)cc1

InChI: InChI=1S/C13H18O2/c1-9(2)12(8-13(14)15)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization