Molecule ID: mol5461

SMILES: CCOC(=O)CNc1ccc(OC)cc1

InChI: InChI=1S/C11H15NO3/c1-3-15-11(13)8-12-9-4-6-10(14-2)7-5-9/h4-7,12H,3,8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization