Molecule ID: mol33782

SMILES: C1CNCCNCCNCCNCCNCCN1

InChI: InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.87 QSARToolbox 3 » 2
8.73 QSARToolbox 2 » 1
9.49 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization