Molecule ID: mol16731

SMILES: COc1cc(NC(C)CCCNC(=O)Oc2ccc(Cl)cc2)c2ncccc2c1

InChI: InChI=1S/C22H24ClN3O3/c1-15(5-3-12-25-22(27)29-18-9-7-17(23)8-10-18)26-20-14-19(28-2)13-16-6-4-11-24-21(16)20/h4,6-11,13-15,26H,3,5,12H2,1-2H3,(H,25,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization