Molecule ID: mol20841

SMILES: COc1ccc(Cl)c(Nc2ccccc2CC(=O)O)c1Cl

InChI: InChI=1S/C15H13Cl2NO3/c1-21-12-7-6-10(16)15(14(12)17)18-11-5-3-2-4-9(11)8-13(19)20/h2-7,18H,8H2,1H3,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization