Molecule ID: mol36852

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

InChI: InChI=1S/C16H18N3O3/c1-22-16(20)15-6-3-8-19(13-15)10-4-9-18-7-2-5-14(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
8.84 QSARToolbox 2 » 1
9.14 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization