Molecule ID: mol31547

SMILES: O=C(/C=N/O)c1cccs1

InChI: InChI=1S/C6H5NO2S/c8-5(4-7-9)6-2-1-3-10-6/h1-4,9H/b7-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization