Molecule ID: mol18219

SMILES: CCC1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C18H20Cl2O4/c1-2-18(11-5-3-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h7,11H,2-6,8-9H2,1H3,(H,21,22)

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