Molecule ID: mol34404

SMILES: COc1ccc(N=NC2=C(C(=O)O)/C(=N/Nc3ccc(OC)cc3)C(=O)NC2=O)cc1

InChI: InChI=1S/C20H17N5O6/c1-30-13-7-3-11(4-8-13)22-24-16-15(20(28)29)17(19(27)21-18(16)26)25-23-12-5-9-14(31-2)10-6-12/h3-10,22H,1-2H3,(H,28,29)(H,21,26,27)/b24-16-,25-23?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization