Molecule ID: mol2972

SMILES: Nc1ncnc2ccc(-c3ccnc(F)c3)nc12

InChI: InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)

Experimental Macro pKa Values

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