Molecule ID: mol18725

SMILES: CCCC12CCC(C(C)=O)=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C19H20Cl2O4/c1-3-5-19-6-4-12(10(2)22)16(19)15-11(8-19)7-13(17(20)18(15)21)25-9-14(23)24/h7H,3-6,8-9H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization