Molecule ID: mol18230

SMILES: C[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C19H22Cl2O4/c1-19(12-5-2-3-6-12)10-11-9-13(25-8-4-7-14(22)23)16(20)17(21)15(11)18(19)24/h9,12H,2-8,10H2,1H3,(H,22,23)/t19-/m0/s1

Experimental Macro pKa Values

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