Molecule ID: mol37889

SMILES: CC(=O)c1ccc(N/N=C2\C(=O)C=Cc3cc(S(=O)(=O)O)ccc32)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization