Molecule ID: mol24697

SMILES: C1COCCN2CCOCCOCCN(CCOCCO1)CCOCCOCC2

InChI: InChI=1S/C20H40N2O7/c1-7-23-13-14-25-9-3-22-4-10-26-16-15-24-8-2-21(1)5-11-27-17-19-29-20-18-28-12-6-22/h1-20H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization