Molecule ID: mol5253
SMILES: Nc1ccccc1C(=O)O
InChI: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.05 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | OCHEM | 1 » 0 |
| 2.08 | Datawarrior | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | OCHEM | 1 » 0 |
| 2.09 | OCHEM | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.14 | IUPAC digitized pKa | 1 » 0 |
| 2.14 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.14 | OCHEM | 1 » 0 |
| 2.14 | OCHEM | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.95 | OCHEM | 1 » 0 |
| 4.79 | OCHEM | 0 » -1 |
| 4.79 | OCHEM | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.86 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | Datawarrior | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.95 | IUPAC digitized pKa | 0 » -1 |
| 4.95 | IUPAC digitized pKa | 0 » -1 |
| 4.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.97 | IUPAC digitized pKa | 0 » -1 |
| 4.98 | QSARToolbox | 0 » -1 |