Molecule ID: mol34789

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

InChI: InChI=1S/C14H24N2O8/c1-7(11(17)18)15(8(2)12(19)20)5-6-16(9(3)13(21)22)10(4)14(23)24/h7-10H,5-6H2,1-4H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization