Molecule ID: mol37032

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

InChI: InChI=1S/C15H14N4O3/c16-15(21)13-4-2-6-19(9-13)11-14(20)10-18-5-1-3-12(8-18)7-17-22/h1-9H,10-11H2,(H-2,16,21,22)/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization