Molecule ID: mol18217

SMILES: CC1(C2CCCC2)Cc2cc(OC/C=C/CC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C20H22Cl2O4/c1-20(13-6-2-3-7-13)11-12-10-14(26-9-5-4-8-15(23)24)17(21)18(22)16(12)19(20)25/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,23,24)/b5-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization