Molecule ID: mol2567
SMILES: Oc1cccc2cccnc12
InChI: InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | QSARToolbox | 1 » 0 |
| 1.38 | QSARToolbox | 1 » 0 |
| 4.88 | IUPAC digitized pKa | 1 » 0 |
| 4.88 | QSARToolbox | 1 » 0 |
| 4.88 | QSARToolbox | 1 » 0 |
| 4.90 | QSARToolbox | 1 » 0 |
| 4.90 | QSARToolbox | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.02 | IUPAC digitized pKa | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.02 | QSARToolbox | 1 » 0 |
| 5.02 | QSARToolbox | 1 » 0 |
| 5.02 | Datawarrior | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.03 | QSARToolbox | 1 » 0 |
| 5.04 | AttenGpKa training set | 1 » 0 |
| 5.07 | QSARToolbox | 1 » 0 |
| 5.07 | QSARToolbox | 1 » 0 |
| 5.09 | IUPAC digitized pKa | 1 » 0 |
| 5.09 | QSARToolbox | 1 » 0 |
| 5.09 | QSARToolbox | 1 » 0 |
| 5.10 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 9.01 | IUPAC digitized pKa | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.68 | AttenGpKa training set | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.71 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | Datawarrior | 0 » -1 |
| 9.77 | OCHEM | 0 » -1 |
| 9.81 | OCHEM | 0 » -1 |
| 9.81 | Hunt | 0 » -1 |
| 9.81 | OCHEM | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | IUPAC digitized pKa | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.88 | QSARToolbox | 0 » -1 |
| 9.89 | IUPAC digitized pKa | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | QSARToolbox | 0 » -1 |
| 10.00 | QSARToolbox | 0 » -1 |