Molecule ID: mol2870

SMILES: COc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1

InChI: InChI=1S/C19H17N3O2/c1-24-16-4-2-3-14(9-16)15-10-17(18(20)22-11-15)12-5-7-13(8-6-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)

Experimental Macro pKa Values

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