Molecule ID: mol1081
SMILES: Nc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.43 | IUPAC digitized pKa | 1 » 0 |
| -0.40 | IUPAC digitized pKa | 1 » 0 |
| -0.38 | IUPAC digitized pKa | 1 » 0 |
| -0.35 | IUPAC digitized pKa | 1 » 0 |
| -0.32 | IUPAC digitized pKa | 1 » 0 |
| -0.32 | IUPAC digitized pKa | 1 » 0 |
| -0.31 | IUPAC digitized pKa | 1 » 0 |
| -0.30 | IUPAC digitized pKa | 1 » 0 |
| -0.29 | IUPAC digitized pKa | 1 » 0 |
| -0.29 | IUPAC digitized pKa | 1 » 0 |
| -0.29 | IUPAC digitized pKa | 1 » 0 |
| -0.29 | QSARToolbox | 1 » 0 |
| -0.28 | IUPAC digitized pKa | 1 » 0 |
| -0.28 | IUPAC digitized pKa | 1 » 0 |
| -0.28 | IUPAC digitized pKa | 1 » 0 |
| -0.28 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.27 | IUPAC digitized pKa | 1 » 0 |
| -0.26 | IUPAC digitized pKa | 1 » 0 |
| -0.26 | IUPAC digitized pKa | 1 » 0 |
| -0.26 | IUPAC digitized pKa | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.26 | Hunt | 1 » 0 |
| -0.26 | QSARToolbox | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.25 | QSARToolbox | 1 » 0 |
| -0.25 | IUPAC digitized pKa | 1 » 0 |
| -0.24 | IUPAC digitized pKa | 1 » 0 |
| -0.24 | Datawarrior | 1 » 0 |
| -0.24 | OCHEM | 1 » 0 |
| -0.23 | IUPAC digitized pKa | 1 » 0 |
| -0.22 | IUPAC digitized pKa | 1 » 0 |
| -0.22 | IUPAC digitized pKa | 1 » 0 |
| -0.20 | IUPAC digitized pKa | 1 » 0 |
| -0.20 | IUPAC digitized pKa | 1 » 0 |
| -0.18 | IUPAC digitized pKa | 1 » 0 |
| -0.11 | AttenGpKa training set | 1 » 0 |
| 0.30 | IUPAC digitized pKa | 1 » 0 |