Molecule ID: mol23533

SMILES: CCCC(CC(=O)O)c1ccc(Cl)cc1

InChI: InChI=1S/C12H15ClO2/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h4-7,10H,2-3,8H2,1H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization