Molecule ID: mol36277

SMILES: FC(F)(F)c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C14H14F3N5/c15-14(16,17)9-3-4-11-12(6-9)22-13(21-11)19-5-1-2-10-7-18-8-20-10/h3-4,6-8H,1-2,5H2,(H,18,20)(H2,19,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization