Molecule ID: euroSAMPL-27

SMILES: NC(=O)c1ccc(-c2ccccn2)cc1

InChI: InChI=1S/C12H10N2O/c13-12(15)10-6-4-9(5-7-10)11-3-1-2-8-14-11/h1-8H,(H2,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization