Molecule ID: mol3617

SMILES: Nc1ccc(-c2ccccn2)cc1

InChI: InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.47 AttenGpKa training set 2 » 1
5.70 OCHEM 1 » 0
5.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization