Molecule ID: mol12229

SMILES: O=S(=O)(Nc1nccs1)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1

InChI: InChI=1S/C18H13N5O3S2/c24-16-8-7-15(14-2-1-9-19-17(14)16)22-21-12-3-5-13(6-4-12)28(25,26)23-18-20-10-11-27-18/h1-11,24H,(H,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization