Molecule ID: mol2013
SMILES: Cc1ccc([N+](=O)[O-])c(O)c1
InChI: InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | IUPAC digitized pKa | 0 » -1 |
| 7.13 | IUPAC digitized pKa | 0 » -1 |
| 7.18 | IUPAC digitized pKa | 0 » -1 |
| 7.22 | IUPAC digitized pKa | 0 » -1 |
| 7.25 | IUPAC digitized pKa | 0 » -1 |
| 7.25 | OCHEM | 0 » -1 |
| 7.25 | Hunt | 0 » -1 |
| 7.25 | QSARToolbox | 0 » -1 |
| 7.25 | AttenGpKa training set | 0 » -1 |
| 7.26 | IUPAC digitized pKa | 0 » -1 |
| 7.30 | IUPAC digitized pKa | 0 » -1 |
| 7.32 | QSARToolbox | 0 » -1 |
| 7.33 | OCHEM | 0 » -1 |
| 7.35 | IUPAC digitized pKa | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.41 | IUPAC digitized pKa | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.41 | OCHEM | 0 » -1 |
| 7.41 | OCHEM | 0 » -1 |
| 7.41 | OCHEM | 0 » -1 |
| 7.41 | OCHEM | 0 » -1 |
| 7.45 | OCHEM | 0 » -1 |
| 7.47 | IUPAC digitized pKa | 0 » -1 |
| 7.53 | IUPAC digitized pKa | 0 » -1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 7.67 | IUPAC digitized pKa | 0 » -1 |