Molecule ID: mol2848

SMILES: COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1

InChI: InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3

Experimental Macro pKa Values

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