Molecule ID: mol18909

SMILES: O=[N+]([O-])c1ncn(CCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1

InChI: InChI=1S/C16H19F3N6O2/c17-16(18,19)13-2-4-14(5-3-13)23-10-8-22(9-11-23)6-1-7-24-12-20-15(21-24)25(26)27/h2-5,12H,1,6-11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.85 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization