Molecule ID: mol37848

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

InChI: InChI=1S/C16H18N3O2/c1-14(20)16-6-3-8-19(13-16)10-4-9-18-7-2-5-15(12-18)11-17-21/h2-3,5-8,11-13H,4,9-10H2,1H3/q+1/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization