Molecule ID: mol30973

SMILES: O=[N+]([O-])c1cccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1

InChI: InChI=1S/C16H11N3O6S/c20-15-7-4-10-8-13(26(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)19(21)22/h1-9,20H,(H,23,24,25)/b18-17+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.78 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization