Molecule ID: mol18489

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

InChI: InChI=1S/C11H16N2O4/c1-3-16-10(14)7-9(11(15)17-4-2)13-6-5-12-8-13/h5-6,8-9H,3-4,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization