Molecule ID: mol35986

SMILES: O=C1C=C(C(=O)O)/C(=N/Nc2ccccc2C(=O)O)C(=O)N1

InChI: InChI=1S/C13H9N3O6/c17-9-5-7(13(21)22)10(11(18)14-9)16-15-8-4-2-1-3-6(8)12(19)20/h1-5,15H,(H,19,20)(H,21,22)(H,14,17,18)/b16-10-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.78 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization