Molecule ID: mol23649

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

InChI: InChI=1S/C12H13BrO2/c1-2-3-10(12(14)15)8-9-4-6-11(13)7-5-9/h4-8H,2-3H2,1H3,(H,14,15)/b10-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization