Molecule ID: mol23511

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

InChI: InChI=1S/C12H13ClO2/c1-2-4-10(12(14)15)7-9-5-3-6-11(13)8-9/h3,5-8H,2,4H2,1H3,(H,14,15)/b10-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization