Molecule ID: mol23496

SMILES: CCC/C(=C\c1cccc(OC)c1)C(=O)O

InChI: InChI=1S/C13H16O3/c1-3-5-11(13(14)15)8-10-6-4-7-12(9-10)16-2/h4,6-9H,3,5H2,1-2H3,(H,14,15)/b11-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization