Molecule ID: mol29563

SMILES: CC(=O)CC(C)(C)Nc1ccccc1

InChI: InChI=1S/C12H17NO/c1-10(14)9-12(2,3)13-11-7-5-4-6-8-11/h4-8,13H,9H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization