Molecule ID: mol37959

SMILES: O=C1C(=NNc2ccccc2)C=C(S(=O)(=O)O)c2ccccc21

InChI: InChI=1S/C16H12N2O4S/c19-16-13-9-5-4-8-12(13)15(23(20,21)22)10-14(16)18-17-11-6-2-1-3-7-11/h1-10,17H,(H,20,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.50 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization