Molecule ID: mol36122

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

InChI: InChI=1S/C11H16N2O10/c14-7(15)2-12(3-8(16)17)1-6(11(22)23)13(4-9(18)19)5-10(20)21/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.20 QSARToolbox -1 » -2
2.75 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization