Molecule ID: mol19960

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

InChI: InChI=1S/C10H15F2N5/c1-14-6-2-3-17(5-6)8-4-7(9(11)12)15-10(13)16-8/h4,6,9,14H,2-3,5H2,1H3,(H2,13,15,16)/t6-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization