Molecule ID: mol3422
SMILES: Cc1ccc(C(N)=NO)cc1
InChI: InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | QSARToolbox | 1 » 0 |
| 5.10 | IUPAC digitized pKa | 1 » 0 |
| 5.10 | OCHEM | 1 » 0 |
| 5.10 | OCHEM | 1 » 0 |
| 5.14 | QSARToolbox | 1 » 0 |
| 5.14 | OCHEM | 1 » 0 |
| 5.14 | Datawarrior | 1 » 0 |
| 5.14 | AttenGpKa training set | 1 » 0 |