Molecule ID: mol24994

SMILES: O=S(=O)(O)c1cc(/N=N/c2ccc(Cl)cc2)c(O)c2ccccc12

InChI: InChI=1S/C16H11ClN2O4S/c17-10-5-7-11(8-6-10)18-19-14-9-15(24(21,22)23)12-3-1-2-4-13(12)16(14)20/h1-9,20H,(H,21,22,23)/b19-18+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.39 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization