Molecule ID: mol34644

SMILES: C1COCCNCCSCCN1

InChI: InChI=1S/C8H18N2OS/c1-5-11-6-2-10-4-8-12-7-3-9-1/h9-10H,1-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization