Molecule ID: mol5262
SMILES: Nc1ccc(C(=O)O)cc1
InChI: InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.22 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.38 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.41 | IUPAC digitized pKa | 1 » 0 |
| 2.41 | IUPAC digitized pKa | 1 » 0 |
| 2.41 | Datawarrior | 1 » 0 |
| 2.41 | OCHEM | 1 » 0 |
| 2.41 | IUPAC digitized pKa | 1 » 0 |
| 2.42 | AttenGpKa training set | 1 » 0 |
| 2.43 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.54 | IUPAC digitized pKa | 1 » 0 |
| 2.60 | IUPAC digitized pKa | 1 » 0 |
| 2.62 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.67 | OCHEM | 0 » -1 |
| 4.67 | Baltruschat ChEMBL | 0 » -1 |
| 4.67 | IUPAC digitized pKa | 0 » -1 |
| 4.68 | IUPAC digitized pKa | 0 » -1 |
| 4.70 | IUPAC digitized pKa | 0 » -1 |
| 4.72 | IUPAC digitized pKa | 0 » -1 |
| 4.73 | IUPAC digitized pKa | 0 » -1 |
| 4.74 | IUPAC digitized pKa | 0 » -1 |
| 4.84 | Datawarrior | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | AttenGpKa training set | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |