Molecule ID: mol35006

SMILES: CC(C)(C)C#Cc1ccccn1

InChI: InChI=1S/C11H13N/c1-11(2,3)8-7-10-6-4-5-9-12-10/h4-6,9H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.57 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization