Molecule ID: mol7251

SMILES: Nc1cc([SH]=CC(=O)c2ccc(Br)cc2)nc(N)n1

InChI: InChI=1S/C12H11BrN4OS/c13-8-3-1-7(2-4-8)9(18)6-19-11-5-10(14)16-12(15)17-11/h1-6,19H,(H4,14,15,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.98 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization