Molecule ID: mol10369
SMILES: C[n+]1cccc(C(=O)NO)c1
InChI: InChI=1S/C7H8N2O2/c1-9-4-2-3-6(5-9)7(10)8-11/h2-5H,1H3,(H-,8,10,11)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.41 | IUPAC digitized pKa | 1 » 0 |
| 6.46 | QSARToolbox | 1 » 0 |
| 6.50 | IUPAC digitized pKa | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.62 | QSARToolbox | 1 » 0 |
| 6.62 | AttenGpKa training set | 1 » 0 |