Molecule ID: mol3339
SMILES: Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
InChI: InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.61 | IUPAC digitized pKa | 1 » 0 |
| -3.61 | QSARToolbox | 1 » 0 |
| -3.35 | AttenGpKa training set | 1 » 0 |
| -3.34 | IUPAC digitized pKa | 1 » 0 |
| -3.34 | QSARToolbox | 1 » 0 |
| -3.32 | OCHEM | 1 » 0 |
| -3.30 | IUPAC digitized pKa | 1 » 0 |
| -3.30 | IUPAC digitized pKa | 1 » 0 |
| -3.30 | QSARToolbox | 1 » 0 |
| -3.24 | IUPAC digitized pKa | 1 » 0 |
| -3.02 | IUPAC digitized pKa | 1 » 0 |
| -2.73 | IUPAC digitized pKa | 1 » 0 |