Molecule ID: mol13377

SMILES: NCCC[n+]1ccc2ccccc2c1

InChI: InChI=1S/C12H15N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-6,9-10H,3,7-8,13H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization