Molecule ID: mol10364
SMILES: C[n+]1ccccc1C=NO
InChI: InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | Baltruschat ChEMBL | 1 » 0 |
| 7.75 | Datawarrior | 1 » 0 |
| 7.75 | OCHEM | 1 » 0 |
| 7.75 | QSARToolbox | 1 » 0 |
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |
| 7.82 | IUPAC digitized pKa | 1 » 0 |
| 7.82 | AttenGpKa training set | 1 » 0 |
| 7.82 | QSARToolbox | 1 » 0 |
| 7.83 | Baltruschat ChEMBL | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | Baltruschat ChEMBL | 1 » 0 |
| 7.85 | Baltruschat ChEMBL | 1 » 0 |
| 7.93 | QSARToolbox | 1 » 0 |
| 7.93 | Baltruschat ChEMBL | 1 » 0 |
| 7.99 | OCHEM | 1 » 0 |
| 7.99 | OCHEM | 1 » 0 |
| 7.99 | OCHEM | 1 » 0 |
| 7.99 | Baltruschat ChEMBL | 1 » 0 |
| 7.99 | Baltruschat ChEMBL | 1 » 0 |
| 7.99 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 9.90 | QSARToolbox | 1 » 0 |