Molecule ID: mol2605

SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2ccnc2)c(F)c1

InChI: InChI=1S/C15H13FN6O2/c16-13-7-11(1-2-14(13)20-5-3-17-10-20)22-9-12(24-15(22)23)8-21-6-4-18-19-21/h1-7,10,12H,8-9H2/t12-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.24 Manchester 1 » 0
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Charge States and Microspecies Visualization