Molecule ID: mol2359
SMILES: CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O
InChI: InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.65 | IUPAC digitized pKa | 0 » -1 |
| 6.65 | OCHEM | 0 » -1 |
| 6.65 | Hunt | 0 » -1 |
| 6.65 | AttenGpKa training set | 0 » -1 |
| 6.65 | QSARToolbox | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.92 | Datawarrior | 0 » -1 |
| 6.92 | OCHEM | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 6.92 | OCHEM | 0 » -1 |