Molecule ID: mol18727

SMILES: O=C(O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(C1CCCC1)C2

InChI: InChI=1S/C20H20Cl2O4/c21-18-15(26-10-16(24)25)7-11-9-20(12-3-1-2-4-12)6-5-13(23)8-14(20)17(11)19(18)22/h7-8,12H,1-6,9-10H2,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization