Molecule ID: mol14815

SMILES: c1cc(N2CCCCC2)ccc1N1CCCCC1

InChI: InChI=1S/C16H24N2/c1-3-11-17(12-4-1)15-7-9-16(10-8-15)18-13-5-2-6-14-18/h7-10H,1-6,11-14H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.50 Datawarrior 1 » 0
6.50 OCHEM 1 » 0
6.50 QSARToolbox 1 » 0
6.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization