Molecule ID: mol15284

SMILES: O=C(c1ccccc1)n1cnc2ccccc21

InChI: InChI=1S/C14H10N2O/c17-14(11-6-2-1-3-7-11)16-10-15-12-8-4-5-9-13(12)16/h1-10H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization