Molecule ID: mol2971

SMILES: Nc1ncnc2ccc(-c3cccc(F)c3)nc12

InChI: InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)

Experimental Macro pKa Values

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