Molecule ID: mol1419
SMILES: Oc1ccc(I)cc1
InChI: InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.99 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | OCHEM | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | Hunt | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.21 | IUPAC digitized pKa | 0 » -1 |
| 9.21 | IUPAC digitized pKa | 0 » -1 |
| 9.21 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | QSARToolbox | 0 » -1 |
| 9.21 | QSARToolbox | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |
| 9.28 | AttenGpKa training set | 0 » -1 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.31 | OCHEM | 0 » -1 |
| 9.32 | OCHEM | 0 » -1 |
| 9.32 | Datawarrior | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |