Molecule ID: mol2963

SMILES: NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1

InChI: InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 Novartis 1 » 0
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Charge States and Microspecies Visualization