Molecule ID: mol18216

SMILES: O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)C(C1CCCC1)C2

InChI: InChI=1S/C16H16Cl2O4/c17-14-11(22-7-12(19)20)6-9-5-10(8-3-1-2-4-8)16(21)13(9)15(14)18/h6,8,10H,1-5,7H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization