Molecule ID: mol1034
SMILES: CN(C)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.47 | IUPAC digitized pKa | 1 » 0 |
| 2.47 | QSARToolbox | 1 » 0 |
| 2.47 | QSARToolbox | 1 » 0 |
| 2.57 | AttenGpKa training set | 1 » 0 |
| 2.58 | OCHEM | 1 » 0 |
| 2.58 | Datawarrior | 1 » 0 |
| 2.63 | QSARToolbox | 1 » 0 |
| 2.63 | IUPAC digitized pKa | 1 » 0 |
| 2.63 | OCHEM | 1 » 0 |
| 2.63 | Hunt | 1 » 0 |
| 2.63 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.63 | QSARToolbox | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.65 | QSARToolbox | 1 » 0 |
| 2.65 | IUPAC digitized pKa | 1 » 0 |
| 2.65 | QSARToolbox | 1 » 0 |