Molecule ID: mol18726

SMILES: CC(C)C12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C18H18Cl2O4/c1-9(2)18-4-3-11(21)6-12(18)15-10(7-18)5-13(16(19)17(15)20)24-8-14(22)23/h5-6,9H,3-4,7-8H2,1-2H3,(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.83 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization