Molecule ID: mol13658

SMILES: O/N=C\c1ccccc1

InChI: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.68 QSARToolbox 0 » -1
10.68 QSARToolbox 0 » -1
10.79 QSARToolbox 0 » -1
10.79 QSARToolbox 0 » -1
10.79 QSARToolbox 0 » -1
10.96 AttenGpKa training set 0 » -1
11.01 QSARToolbox 0 » -1
11.33 QSARToolbox 0 » -1
11.33 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization