Molecule ID: mol10783
SMILES: C[n+]1cccc(C(=O)C=NO)c1
InChI: InChI=1S/C8H8N2O2/c1-10-4-2-3-7(6-10)8(11)5-9-12/h2-6H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | AttenGpKa training set | 1 » 0 |