Molecule ID: mol2990

SMILES: O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1

InChI: InChI=1S/C13H7ClFN3O2S/c14-10-6-5-9(21-10)11(19)16-13-18-17-12(20-13)7-1-3-8(15)4-2-7/h1-6H,(H,16,18,19)

Experimental Macro pKa Values

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