Molecule ID: mol22358

SMILES: O=C(O)/C(=N/O)c1ccccc1

InChI: InChI=1S/C8H7NO3/c10-8(11)7(9-12)6-4-2-1-3-5-6/h1-5,12H,(H,10,11)/b9-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.81 AttenGpKa training set 0 » -1
11.63 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization