Molecule ID: mol18235

SMILES: CC1(C2CCCC2)Cc2cc(OC3(C(=O)O)CCC3)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C20H22Cl2O4/c1-19(12-5-2-3-6-12)10-11-9-13(15(21)16(22)14(11)17(19)23)26-20(18(24)25)7-4-8-20/h9,12H,2-8,10H2,1H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization