Molecule ID: mol27979

SMILES: c1ccc(C(=NCCc2ccccn2)c2ccccc2)cc1

InChI: InChI=1S/C20H18N2/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-16-14-19-13-7-8-15-21-19/h1-13,15H,14,16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization