Molecule ID: mol36851

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

InChI: InChI=1S/C16H18N4O2/c1-17-16(21)15-6-3-8-20(13-15)10-4-9-19-7-2-5-14(12-19)11-18-22/h2-3,5-8,11-13H,4,9-10H2,1H3/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization