Molecule ID: mol12176

SMILES: N#Cc1ccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1

InChI: InChI=1S/C17H11N3O4S/c18-10-11-1-3-12(4-2-11)19-20-16-7-8-17(21)14-6-5-13(9-15(14)16)25(22,23)24/h1-9,21H,(H,22,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.81 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization