Molecule ID: mol11850

SMILES: ON=C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.18 IUPAC digitized pKa 0 » -1
11.30 Datawarrior 0 » -1
11.30 OCHEM 0 » -1
11.30 AttenGpKa training set 0 » -1
11.30 QSARToolbox 0 » -1
11.30 QSARToolbox 0 » -1
11.30 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization