Molecule ID: euroSAMPL-03

SMILES: COc1ccc(-c2ccccn2)cc1

InChI: InChI=1S/C12H11NO/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.02 euroSAMPL1 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization