Molecule ID: mol25146

SMILES: Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)n2)cc1

InChI: InChI=1S/C21H19N3/c22-18-10-4-16(5-11-18)8-14-20-2-1-3-21(24-20)15-9-17-6-12-19(23)13-7-17/h1-15H,22-23H2/b14-8+,15-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization