Molecule ID: mol16742

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization