Molecule ID: mol38319

SMILES: O=C(O)CN1CCOCCN(CC(=O)O)CCOCC1

InChI: InChI=1S/C12H22N2O6/c15-11(16)9-13-1-5-19-7-3-14(10-12(17)18)4-8-20-6-2-13/h1-10H2,(H,15,16)(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization