Molecule ID: mol35971

SMILES: O=C(O)C(CNC(C(=O)O)C(=O)O)NC(C(=O)O)C(=O)O

InChI: InChI=1S/C9H12N2O10/c12-5(13)2(11-4(8(18)19)9(20)21)1-10-3(6(14)15)7(16)17/h2-4,10-11H,1H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization