Molecule ID: mol15122

SMILES: C=CCN(CC=C)CCCN(CC=C)CC=C

InChI: InChI=1S/C15H26N2/c1-5-10-16(11-6-2)14-9-15-17(12-7-3)13-8-4/h5-8H,1-4,9-15H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.96 Datawarrior 2 » 1
8.80 Datawarrior 1 » 0
8.80 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization