Molecule ID: mol29587

SMILES: NCCC(c1ccccc1)c1ccccn1

InChI: InChI=1S/C14H16N2/c15-10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9-10,15H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.22 AttenGpKa training set 2 » 1
9.88 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization