Molecule ID: mol15212

SMILES: NCCC[n+]1ccc2c([N+](=O)[O-])cccc2c1

InChI: InChI=1S/C12H14N3O2/c13-6-2-7-14-8-5-11-10(9-14)3-1-4-12(11)15(16)17/h1,3-5,8-9H,2,6-7,13H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization