Molecule ID: mol37296
SMILES: NC(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)O
InChI: InChI=1S/C9H12N2O5S/c10-8(9(12)13)5-6-1-3-7(4-2-6)11-17(14,15)16/h1-4,8,11H,5,10H2,(H,12,13)(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.26 | QSARToolbox | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 8.64 | QSARToolbox | -1 » -2 |