Molecule ID: mol6191

SMILES: CN(C)CC#CC#Cc1ccccc1

InChI: InChI=1S/C13H13N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization