Molecule ID: mol25110

SMILES: Nc1ccc(/C=C/c2ccncc2)cc1

InChI: InChI=1S/C13H12N2/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h1-10H,14H2/b2-1+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization