Molecule ID: mol18905

SMILES: O=[N+]([O-])c1ncn(CCCNCc2ccc(C(F)(F)F)cc2)n1

InChI: InChI=1S/C13H14F3N5O2/c14-13(15,16)11-4-2-10(3-5-11)8-17-6-1-7-20-9-18-12(19-20)21(22)23/h2-5,9,17H,1,6-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization