Molecule ID: mol2855

SMILES: COc1ccc(CNC(=O)c2c(C)nc3ccccn23)cc1

InChI: InChI=1S/C17H17N3O2/c1-12-16(20-10-4-3-5-15(20)19-12)17(21)18-11-13-6-8-14(22-2)9-7-13/h3-10H,11H2,1-2H3,(H,18,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.00 Novartis 1 » 0
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Charge States and Microspecies Visualization