Molecule ID: mol6142

SMILES: CN(C)CC#CC#Cc1ccc(Cl)cc1

InChI: InChI=1S/C13H12ClN/c1-15(2)11-5-3-4-6-12-7-9-13(14)10-8-12/h7-10H,11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization