Molecule ID: mol24254

SMILES: NCCC[n+]1ccccc1

InChI: InChI=1S/C8H13N2/c9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.03 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization