Molecule ID: mol24414

SMILES: OCC(CO)(CO)NCCCNC(CO)(CO)CO

InChI: InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.75 QSARToolbox 2 » 1
6.75 AttenGpKa training set 2 » 1
9.10 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization