Molecule ID: mol36278

SMILES: FC(F)(F)c1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H12F3N5/c14-13(15,16)8-1-2-10-11(5-8)21-12(20-10)18-4-3-9-6-17-7-19-9/h1-2,5-7H,3-4H2,(H,17,19)(H2,18,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.07 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization