Molecule ID: mol700
SMILES: O=C(c1ccccc1)N(O)c1ccccc1
InChI: InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.63 | QSARToolbox | 0 » -1 |
| 6.63 | QSARToolbox | 0 » -1 |
| 7.87 | OCHEM | 0 » -1 |
| 7.87 | Datawarrior | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.38 | OCHEM | 0 » -1 |
| 8.38 | Hunt | 0 » -1 |
| 8.57 | AttenGpKa training set | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |