Molecule ID: mol26083

SMILES: CCOC(=O)c1ccc2ncccc2c1

InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3-8H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization