Molecule ID: mol12699
SMILES: Cc1cc(C)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | Datawarrior | 0 » -1 |
| 7.98 | OCHEM | 0 » -1 |
| 7.99 | QSARToolbox | 0 » -1 |
| 7.99 | QSARToolbox | 0 » -1 |