Molecule ID: mol3419
SMILES: NC(Cc1ccccc1)=NO
InChI: InChI=1S/C8H10N2O/c9-8(10-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.24 | QSARToolbox | 1 » 0 |
| 5.24 | AttenGpKa training set | 1 » 0 |
| 5.32 | Datawarrior | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |