Molecule ID: mol18214

SMILES: CC1(Cc2ccccc2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C21H20Cl2O4/c1-21(11-13-6-3-2-4-7-13)12-14-10-15(27-9-5-8-16(24)25)18(22)19(23)17(14)20(21)26/h2-4,6-7,10H,5,8-9,11-12H2,1H3,(H,24,25)

Experimental Macro pKa Values

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