Molecule ID: mol6210

SMILES: Cc1ccc(C(O)CNC(C)C)cc1C

InChI: InChI=1S/C13H21NO/c1-9(2)14-8-13(15)12-6-5-10(3)11(4)7-12/h5-7,9,13-15H,8H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization