Molecule ID: mol14155
SMILES: NC(=O)c1ccc(N)cc1O
InChI: InChI=1S/C7H8N2O2/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3,10H,8H2,(H2,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.11 | QSARToolbox | 0 » -1 |
| 9.11 | QSARToolbox | 0 » -1 |
| 9.11 | AttenGpKa training set | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |