Molecule ID: mol1035
SMILES: CN(C)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.56 | QSARToolbox | 1 » 0 |
| 0.61 | IUPAC digitized pKa | 1 » 0 |
| 0.61 | OCHEM | 1 » 0 |
| 0.61 | Hunt | 1 » 0 |
| 0.61 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.61 | QSARToolbox | 1 » 0 |
| 0.65 | AttenGpKa training set | 1 » 0 |
| 0.67 | IUPAC digitized pKa | 1 » 0 |
| 0.67 | QSARToolbox | 1 » 0 |
| 0.67 | QSARToolbox | 1 » 0 |
| 0.67 | QSARToolbox | 1 » 0 |
| 0.69 | Datawarrior | 1 » 0 |
| 0.69 | OCHEM | 1 » 0 |
| 0.92 | IUPAC digitized pKa | 1 » 0 |
| 0.92 | OCHEM | 1 » 0 |
| 0.92 | QSARToolbox | 1 » 0 |
| 0.92 | QSARToolbox | 1 » 0 |