Molecule ID: mol18743

SMILES: CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C19H18Cl2O6/c1-2-19-4-3-11(22)6-12(19)16-10(7-19)5-13(17(20)18(16)21)26-9-15(25)27-8-14(23)24/h5-6H,2-4,7-9H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization