Molecule ID: mol1211
SMILES: Nc1ccc2c([N+](=O)[O-])cccc2c1
InChI: InChI=1S/C10H8N2O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12(13)14/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.01 | Hunt | 1 » 0 |
| 3.01 | OCHEM | 1 » 0 |
| 3.01 | OCHEM | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |
| 3.16 | Datawarrior | 1 » 0 |
| 3.16 | AttenGpKa training set | 1 » 0 |
| 3.16 | QSARToolbox | 1 » 0 |
| 3.16 | OCHEM | 1 » 0 |