Molecule ID: mol19961

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

InChI: InChI=1S/C11H16F3N5/c1-16-7-2-3-19(6-7)9-4-8(5-11(12,13)14)17-10(15)18-9/h4,7,16H,2-3,5-6H2,1H3,(H2,15,17,18)/t7-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.40 OCHEM 2 » 1
5.40 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization