Molecule ID: mol16268

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

InChI: InChI=1S/C14H25N3O8/c1-2-15(3-5-16(7-11(18)19)8-12(20)21)4-6-17(9-13(22)23)10-14(24)25/h2-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 OCHEM 1 » 0
2.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization