Molecule ID: mol2914

SMILES: Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1

InChI: InChI=1S/C23H19N5O/c1-16-9-10-19(26-22(29)17-6-3-2-4-7-17)14-21(16)28-23-25-13-11-20(27-23)18-8-5-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)

Experimental Macro pKa Values

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