Molecule ID: mol22380

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

InChI: InChI=1S/C6H5NO3S/c8-6(9)5(7-10)4-2-1-3-11-4/h1-3,10H,(H,8,9)/b7-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization