Molecule ID: mol18740

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

InChI: InChI=1S/C19H20Cl2O4/c1-2-19-6-5-12(22)9-13(19)16-11(10-19)8-14(17(20)18(16)21)25-7-3-4-15(23)24/h8-9H,2-7,10H2,1H3,(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