Molecule ID: mol30302

SMILES: O=C1ON=C(c2ccccc2)C1C(=O)c1ccccc1

InChI: InChI=1S/C16H11NO3/c18-15(12-9-5-2-6-10-12)13-14(17-20-16(13)19)11-7-3-1-4-8-11/h1-10,13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization