Molecule ID: mol37568

SMILES: O=S(=O)(O)c1cccc2c(/N=N/c3ccc(O)cc3)cccc12

InChI: InChI=1S/C16H12N2O4S/c19-12-9-7-11(8-10-12)17-18-15-5-1-4-14-13(15)3-2-6-16(14)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.86 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization