Molecule ID: mol30963

SMILES: COc1cccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1

InChI: InChI=1S/C17H14N2O5S/c1-24-13-4-2-3-12(10-13)18-19-17-15-7-6-14(25(21,22)23)9-11(15)5-8-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.11 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization