Molecule ID: mol37002

SMILES: CNC(=O)c1ccc[n+](CC(=O)C[n+]2cccc(C=NO)c2)c1

InChI: InChI=1S/C16H16N4O3/c1-17-16(22)14-5-3-7-20(10-14)12-15(21)11-19-6-2-4-13(9-19)8-18-23/h2-10H,11-12H2,1H3/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization