Molecule ID: mol13752

SMILES: NCC[n+]1ccc2ccccc2c1

InChI: InChI=1S/C11H13N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-5,7,9H,6,8,12H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization