Molecule ID: mol2607

SMILES: Cc1cn(C[C@H]2CN(c3ccc(-n4ccnc4)c(F)c3)C(=O)O2)nn1

InChI: InChI=1S/C16H15FN6O2/c1-11-7-22(20-19-11)8-13-9-23(16(24)25-13)12-2-3-15(14(17)6-12)21-5-4-18-10-21/h2-7,10,13H,8-9H2,1H3/t13-/m0/s1

Experimental Macro pKa Values

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