Molecule ID: mol2779

SMILES: CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1

InChI: InChI=1S/C26H21N5O/c1-18(32)29-20-12-14-21(15-13-20)30-25-24-23(19-8-4-2-5-9-19)16-31(26(24)28-17-27-25)22-10-6-3-7-11-22/h2-17H,1H3,(H,29,32)(H,27,28,30)

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