Molecule ID: mol27975

SMILES: c1ccc(C(=NCc2ccccn2)c2ccccc2)cc1

InChI: InChI=1S/C19H16N2/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)21-15-18-13-7-8-14-20-18/h1-14H,15H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization