Molecule ID: mol37036

SMILES: O=C(O)Cn1cc[n+](CC(=O)O)c1

InChI: InChI=1S/C7H8N2O4/c10-6(11)3-8-1-2-9(5-8)4-7(12)13/h1-2,5H,3-4H2,(H-,10,11,12,13)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization