Molecule ID: mol18496

SMILES: O=C(O)CC(C(=O)O)n1ccnc1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.32 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization