Molecule ID: mol23442

SMILES: CCC/C(=C\c1ccc(C)cc1)C(=O)O

InChI: InChI=1S/C13H16O2/c1-3-4-12(13(14)15)9-11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,14,15)/b12-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization