Molecule ID: mol10366
SMILES: C[n+]1ccc(C=NO)cc1
InChI: InChI=1S/C7H8N2O/c1-9-4-2-7(3-5-9)6-8-10/h2-6H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | QSARToolbox | 1 » 0 |
| 8.23 | IUPAC digitized pKa | 1 » 0 |
| 8.27 | Datawarrior | 1 » 0 |
| 8.27 | QSARToolbox | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.36 | OCHEM | 1 » 0 |
| 8.36 | Baltruschat ChEMBL | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Baltruschat ChEMBL | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.67 | AttenGpKa training set | 1 » 0 |