Molecule ID: mol18237

SMILES: CCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C21H26Cl2O4/c1-2-9-21(14-6-3-4-7-14)12-13-11-15(27-10-5-8-16(24)25)18(22)19(23)17(13)20(21)26/h11,14H,2-10,12H2,1H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.10 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization