Molecule ID: mol29586

SMILES: CCOC(=O)c1c(C)[nH]c(/C=N/O)c1O

InChI: InChI=1S/C9H12N2O4/c1-3-15-9(13)7-5(2)11-6(4-10-14)8(7)12/h4,11-12,14H,3H2,1-2H3/b10-4+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.85 AttenGpKa training set 0 » -1
9.74 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization