Molecule ID: mol34355

SMILES: O=C(O)C(NCCNC(C(=O)O)C(=O)O)C(=O)O

InChI: InChI=1S/C8H12N2O8/c11-5(12)3(6(13)14)9-1-2-10-4(7(15)16)8(17)18/h3-4,9-10H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.21 QSARToolbox 1 » 0
2.21 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization