Molecule ID: mol36274

SMILES: N#CC(C#N)c1ccc(C(C#N)C#N)c(C(F)(F)F)c1

InChI: InChI=1S/C13H5F3N4/c14-13(15,16)12-3-8(9(4-17)5-18)1-2-11(12)10(6-19)7-20/h1-3,9-10H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.30 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization