Molecule ID: mol10370
SMILES: C[n+]1ccc(C(=O)NO)cc1
InChI: InChI=1S/C7H8N2O2/c1-9-4-2-6(3-5-9)7(10)8-11/h2-5H,1H3,(H-,8,10,11)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.95 | IUPAC digitized pKa | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | AttenGpKa training set | 1 » 0 |
| 6.30 | IUPAC digitized pKa | 1 » 0 |