Molecule ID: mol18492

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

InChI: InChI=1S/C9H12N2O4/c1-2-15-8(12)5-7(9(13)14)11-4-3-10-6-11/h3-4,6-7H,2,5H2,1H3,(H,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.86 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization