Molecule ID: mol36747

SMILES: O=C(O)C(c1ccc(C2CCCCC2)cc1)C(O)c1ccc(Cl)cc1

InChI: InChI=1S/C21H23ClO3/c22-18-12-10-17(11-13-18)20(23)19(21(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14,19-20,23H,1-5H2,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.27 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization