Molecule ID: mol23479

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

InChI: InChI=1S/C11H13ClO2/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization