Molecule ID: mol18908

SMILES: O=[N+]([O-])c1ncn(CCCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1

InChI: InChI=1S/C18H23F3N6O2/c19-18(20,21)16-5-3-15(4-6-16)13-25-11-9-24(10-12-25)7-1-2-8-26-14-22-17(23-26)27(28)29/h3-6,14H,1-2,7-13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization