Molecule ID: mol23453

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization