Molecule ID: mol23455

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

InChI: InChI=1S/C13H18O2/c1-3-4-12(9-13(14)15)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization