Molecule ID: mol36898

SMILES: ON=Cc1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1

InChI: InChI=1S/C15H16N4O2/c20-16-10-14-4-1-6-18(12-14)8-3-9-19-7-2-5-15(13-19)11-17-21/h1-2,4-7,10-13H,3,8-9H2/p+2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.74 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization