Molecule ID: mol18906

SMILES: O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1

InChI: InChI=1S/C21H19F6N5O2/c22-20(23,24)17-6-2-15(3-7-17)12-30(10-1-11-31-14-28-19(29-31)32(33)34)13-16-4-8-18(9-5-16)21(25,26)27/h2-9,14H,1,10-13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization