Molecule ID: mol34405

SMILES: COc1ccc(N/N=C2\C(=O)NC(=O)C=C2C(=O)O)cc1

InChI: InChI=1S/C13H11N3O5/c1-21-8-4-2-7(3-5-8)15-16-11-9(13(19)20)6-10(17)14-12(11)18/h2-6,15H,1H3,(H,19,20)(H,14,17,18)/b16-11-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.16 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization