Molecule ID: mol17091

SMILES: CC1=NC(c2ccc(F)cc2)(c2cccc(-c3cccnc3)c2)N=C1N

InChI: InChI=1S/C21H17FN4/c1-14-20(23)26-21(25-14,17-7-9-19(22)10-8-17)18-6-2-4-15(12-18)16-5-3-11-24-13-16/h2-13H,1H3,(H2,23,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization