Molecule ID: mol5463

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

InChI: InChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization