Molecule ID: mol36885

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

InChI: InChI=1S/C15H16N4O2/c16-15(20)14-5-2-7-19(12-14)9-3-8-18-6-1-4-13(11-18)10-17-21/h1-2,4-7,10-12H,3,8-9H2,(H-2,16,20,21)/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization