Molecule ID: mol14328

SMILES: CCOC(=O)CC(NC)c1ccccc1

InChI: InChI=1S/C12H17NO2/c1-3-15-12(14)9-11(13-2)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.77 QSARToolbox 1 » 0
8.23 OCHEM 1 » 0
8.23 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization