Molecule ID: mol2846

SMILES: COc1ccc(-c2c(C)nc3c(-c4ccccn4)cnn3c2N)cc1

InChI: InChI=1S/C19H17N5O/c1-12-17(13-6-8-14(25-2)9-7-13)18(20)24-19(23-12)15(11-22-24)16-5-3-4-10-21-16/h3-11H,20H2,1-2H3

Experimental Macro pKa Values

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