Molecule ID: mol18227

SMILES: CC1(Cc2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C19H16Cl2O4/c1-19(8-11-5-3-2-4-6-11)9-12-7-13(25-10-14(22)23)16(20)17(21)15(12)18(19)24/h2-7H,8-10H2,1H3,(H,22,23)

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