Molecule ID: mol37896
SMILES: CC(C)c1ccccc1N/N=C1\C(=O)c2ccc(S(=O)(=O)O)cc2C=C1S(=O)(=O)O
InChI: InChI=1S/C19H18N2O7S2/c1-11(2)14-5-3-4-6-16(14)20-21-18-17(30(26,27)28)10-12-9-13(29(23,24)25)7-8-15(12)19(18)22/h3-11,20H,1-2H3,(H,23,24,25)(H,26,27,28)/b21-18-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.00 | QSARToolbox | -2 » -3 |