Molecule ID: mol23389

SMILES: CCCC(CC(=O)O)c1ccccc1

InChI: InChI=1S/C12H16O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization