Molecule ID: mol2991

SMILES: O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1

InChI: InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-1-3-8(7-9)11(21)18-13-20-19-12(22-13)10-5-2-6-23-10/h1-7H,(H,18,20,21)

Experimental Macro pKa Values

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