Molecule ID: mol13963

SMILES: COc1ccc(/C=N/O)cc1OC

InChI: InChI=1S/C9H11NO3/c1-12-8-4-3-7(6-10-11)5-9(8)13-2/h3-6,11H,1-2H3/b10-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization