Molecule ID: mol19959

SMILES: CN[C@@H]1CCN(c2cc(CF)nc(N)n2)C1

InChI: InChI=1S/C10H16FN5/c1-13-7-2-3-16(6-7)9-4-8(5-11)14-10(12)15-9/h4,7,13H,2-3,5-6H2,1H3,(H2,12,14,15)/t7-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.50 OCHEM 2 » 1
5.50 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization