Molecule ID: mol2431
SMILES: Nc1cccc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C10H8N2O2/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.79 | QSARToolbox | 1 » 0 |
| 2.79 | QSARToolbox | 1 » 0 |
| 2.79 | IUPAC digitized pKa | 1 » 0 |
| 2.79 | Datawarrior | 1 » 0 |
| 2.79 | OCHEM | 1 » 0 |
| 2.79 | Hunt | 1 » 0 |
| 2.79 | OCHEM | 1 » 0 |
| 2.79 | AttenGpKa training set | 1 » 0 |