Molecule ID: mol25142

SMILES: C(=C/c1cccc(/C=C/c2ccccn2)n1)\c1ccccn1

InChI: InChI=1S/C19H15N3/c1-3-14-20-16(6-1)10-12-18-8-5-9-19(22-18)13-11-17-7-2-4-15-21-17/h1-15H/b12-10+,13-11+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.10 AttenGpKa training set 3 » 2
0.90 AttenGpKa training set 3 » 2
4.90 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization