Molecule ID: mol6189

SMILES: COc1ccc(C#CC#CC(C)(C)N(C)C)cc1

InChI: InChI=1S/C16H19NO/c1-16(2,17(3)4)13-7-6-8-14-9-11-15(18-5)12-10-14/h9-12H,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization