Molecule ID: mol2795

SMILES: CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1

InChI: InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)

Experimental Macro pKa Values

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