Molecule ID: mol3421
SMILES: Cc1ccccc1C(N)=NO
InChI: InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | IUPAC digitized pKa | 1 » 0 |
| 3.99 | OCHEM | 1 » 0 |
| 3.99 | OCHEM | 1 » 0 |
| 3.99 | QSARToolbox | 1 » 0 |
| 4.03 | Datawarrior | 1 » 0 |
| 4.03 | AttenGpKa training set | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |