Molecule ID: mol36133

SMILES: O=C(O)CN(CC(=O)O)Cc1cccc(CN(CC(=O)O)CC(=O)O)n1

InChI: InChI=1S/C15H19N3O8/c19-12(20)6-17(7-13(21)22)4-10-2-1-3-11(16-10)5-18(8-14(23)24)9-15(25)26/h1-3H,4-9H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization