Molecule ID: mol21422

SMILES: c1cncc(-c2ccc(-c3nnc(C4CN5CCC4CC5)o3)o2)c1

InChI: InChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)18-21-20-17(24-18)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization