Molecule ID: mol23501

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

InChI: InChI=1S/C14H20O2/c1-4-10(2)12-5-7-13(8-6-12)11(3)9-14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization