Molecule ID: mol20241

SMILES: CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccccc12

InChI: InChI=1S/C24H22ClN3O/c1-28(2)15-14-26-24(29)21-9-5-8-20-18-6-3-4-7-19(18)22(27-23(20)21)16-10-12-17(25)13-11-16/h3-13H,14-15H2,1-2H3,(H,26,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.52 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization