Molecule ID: mol6138

SMILES: COc1ccc(C(O)NC(C)(C)C)cc1OC

InChI: InChI=1S/C13H21NO3/c1-13(2,3)14-12(15)9-6-7-10(16-4)11(8-9)17-5/h6-8,12,14-15H,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization