Molecule ID: mol3534
SMILES: Nc1c([N+](=O)[O-])ccc2ccccc12
InChI: InChI=1S/C10H8N2O2/c11-10-8-4-2-1-3-7(8)5-6-9(10)12(13)14/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.74 | QSARToolbox | 1 » 0 |
| -1.74 | IUPAC digitized pKa | 1 » 0 |
| -1.74 | OCHEM | 1 » 0 |
| -1.74 | AttenGpKa training set | 1 » 0 |
| -1.60 | Datawarrior | 1 » 0 |
| -1.60 | OCHEM | 1 » 0 |