Molecule ID: mol1838
SMILES: Cc1cc([N+](=O)[O-])cc(C)c1O
InChI: InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.07 | IUPAC digitized pKa | 0 » -1 |
| 7.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.07 | OCHEM | 0 » -1 |
| 7.07 | OCHEM | 0 » -1 |
| 7.07 | OCHEM | 0 » -1 |
| 7.07 | QSARToolbox | 0 » -1 |
| 7.13 | QSARToolbox | 0 » -1 |
| 7.19 | OCHEM | 0 » -1 |
| 7.19 | Hunt | 0 » -1 |
| 7.19 | OCHEM | 0 » -1 |
| 7.19 | AttenGpKa training set | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.22 | QSARToolbox | 0 » -1 |
| 7.22 | QSARToolbox | 0 » -1 |
| 7.22 | OCHEM | 0 » -1 |
| 7.22 | Datawarrior | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |