Molecule ID: mol18220

SMILES: CC(C)(Oc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2)C(=O)O

InChI: InChI=1S/C19H22Cl2O4/c1-18(2,17(23)24)25-12-8-10-9-19(3,11-6-4-5-7-11)16(22)13(10)15(21)14(12)20/h8,11H,4-7,9H2,1-3H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization