Molecule ID: mol10178
SMILES: Nc1ccc(C(=O)NO)cc1
InChI: InChI=1S/C7H8N2O2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | AttenGpKa training set | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.42 | IUPAC digitized pKa | 0 » -1 |