Molecule ID: mol18493

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

InChI: InChI=1S/C8H10N2O4/c11-7(12)3-6(4-8(13)14)10-2-1-9-5-10/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization