Molecule ID: mol18494

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

InChI: InChI=1S/C10H14N2O4/c1-3-15-9(13)8(10(14)16-4-2)12-6-5-11-7-12/h5-8H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.02 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization