Molecule ID: mol34992

SMILES: CC(=O)c1cccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1

InChI: InChI=1S/C18H14N2O5S/c1-11(21)12-3-2-4-13(9-12)19-20-17-7-8-18(22)15-6-5-14(10-16(15)17)26(23,24)25/h2-10,22H,1H3,(H,23,24,25)/b20-19+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization