Molecule ID: mol18484

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1

InChI: InChI=1S/C24H25Cl2N3O3/c1-3-4-5-21-28-23(26)20(14-22(30)32-2)29(21)15-16-6-12-19(13-7-16)27-24(31)17-8-10-18(25)11-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,27,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization