Molecule ID: mol3312

SMILES: CCCN(C(C)=O)c1ccccc1

InChI: InChI=1S/C11H15NO/c1-3-9-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.60 QSARToolbox 1 » 0
-0.60 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization