Molecule ID: mol2542
SMILES: Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C13H12N2O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(16)17/h1-8H,9,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | QSARToolbox | 1 » 0 |
| 4.45 | Hunt | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |