Molecule ID: mol22696
SMILES: Nc1cc(N)cc(C(=O)O)c1
InChI: InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | AttenGpKa training set | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |