Molecule ID: mol32789

SMILES: C(=CC=Nc1ccccc1)C=CNc1ccccc1

InChI: InChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.52 QSARToolbox 1 » 0
8.52 QSARToolbox 1 » 0
8.52 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization