Molecule ID: mol1437
SMILES: Cc1cc(C)c([N+](=O)[O-])c(C)c1O
InChI: InChI=1S/C9H11NO3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.86 | Hunt | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | Datawarrior | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | AttenGpKa training set | 0 » -1 |