Molecule ID: mol2110
SMILES: Nc1ccc2ccc([N+](=O)[O-])cc2c1
InChI: InChI=1S/C10H8N2O2/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 1 » 0 |
| 3.10 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | Hunt | 1 » 0 |
| 3.10 | OCHEM | 1 » 0 |
| 3.10 | OCHEM | 1 » 0 |
| 3.13 | Datawarrior | 1 » 0 |
| 3.13 | AttenGpKa training set | 1 » 0 |
| 3.13 | OCHEM | 1 » 0 |
| 3.13 | QSARToolbox | 1 » 0 |