Molecule ID: mol18901

SMILES: O=[N+]([O-])c1ncn(CCCNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

InChI: InChI=1S/C14H13F6N5O2/c15-13(16,17)10-4-9(5-11(6-10)14(18,19)20)7-21-2-1-3-24-8-22-12(23-24)25(26)27/h4-6,8,21H,1-3,7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization