Molecule ID: mol13381

SMILES: NCC[n+]1cc(Br)c2ccccc2c1

InChI: InChI=1S/C11H12BrN2/c12-11-8-14(6-5-13)7-9-3-1-2-4-10(9)11/h1-4,7-8H,5-6,13H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization