Molecule ID: mol12178

SMILES: Nc1c(N=Nc2ccccc2C(=O)O)cc(S(=O)(=O)O)c2ccccc12

InChI: InChI=1S/C17H13N3O5S/c18-16-11-6-2-1-5-10(11)15(26(23,24)25)9-14(16)20-19-13-8-4-3-7-12(13)17(21)22/h1-9H,18H2,(H,21,22)(H,23,24,25)

Experimental Macro pKa Values

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