Molecule ID: mol4987
SMILES: Nc1ccc2cc3cc(S(=O)(=O)O)ccc3nc2c1
InChI: InChI=1S/C13H10N2O3S/c14-10-2-1-8-5-9-6-11(19(16,17)18)3-4-12(9)15-13(8)7-10/h1-7H,14H2,(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 1 » 0 |
| 2.00 | AttenGpKa training set | 1 » 0 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 7.60 | AttenGpKa training set | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |