Molecule ID: mol13307
SMILES: Cc1cc([N+](=O)[O-])c(C(C)C)cc1O
InChI: InChI=1S/C10H13NO3/c1-6(2)8-5-10(12)7(3)4-9(8)11(13)14/h4-6,12H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |