Molecule ID: mol30516

SMILES: CC/N=C/c1ccccc1O

InChI: InChI=1S/C9H11NO/c1-2-10-7-8-5-3-4-6-9(8)11/h3-7,11H,2H2,1H3/b10-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.96 AttenGpKa training set 1 » 0
11.81 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization