Molecule ID: mol3978

SMILES: COC(=O)c1nccnc1C(=O)OC

InChI: InChI=1S/C8H8N2O4/c1-13-7(11)5-6(8(12)14-2)10-4-3-9-5/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.00 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization