Molecule ID: mol16741

SMILES: COc1ccc(NC(=O)C2=CCN(C)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

InChI: InChI=1S/C25H24ClN7O2/c1-32-11-8-16(9-12-32)24(34)29-17-6-7-22(35-2)20(13-17)30-25-27-15-19(26)23(31-25)18-14-28-33-10-4-3-5-21(18)33/h3-8,10,13-15H,9,11-12H2,1-2H3,(H,29,34)(H,27,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization