Molecule ID: mol18730

SMILES: CCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C19H20Cl2O4/c1-2-3-5-19-6-4-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24/h7-8H,2-6,9-10H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization