Molecule ID: SM02

SMILES: FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1

InChI: InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.03 SAMPL6 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization