Molecule ID: mol34761

SMILES: CC(C)c1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)cc(C(C)C)c1O

InChI: InChI=1S/C22H24N2O4S/c1-13(2)18-11-15(12-19(14(3)4)22(18)25)23-24-20-9-5-8-17-16(20)7-6-10-21(17)29(26,27)28/h5-14,25H,1-4H3,(H,26,27,28)/b24-23+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization