Molecule ID: mol15769

SMILES: O=C(/C=C1/C=CC=CN1)c1ccccc1

InChI: InChI=1S/C13H11NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-10,14H/b12-10-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization