Molecule ID: mol33869

SMILES: O=C(O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O

InChI: InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.06 QSARToolbox 2 » 1
6.90 QSARToolbox -2 » -3
9.48 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization