Molecule ID: mol31593

SMILES: COc1ccc(O)c(/C(C)=N/O)c1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.92 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization