Molecule ID: mol34996

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

InChI: InChI=1S/C12H20N2O8/c1-7(13(3-9(15)16)4-10(17)18)8(2)14(5-11(19)20)6-12(21)22/h7-8H,3-6H2,1-2H3,(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
2.59 QSARToolbox -1 » -2
2.59 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization