Molecule ID: mol25583

SMILES: CCOC(=O)CC(C(=O)OCC)n1ccnc1C

InChI: InChI=1S/C12H18N2O4/c1-4-17-11(15)8-10(12(16)18-5-2)14-7-6-13-9(14)3/h6-7,10H,4-5,8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization