Molecule ID: mol29351
SMILES: NC(Cc1cccc(Cl)c1)C(=O)O
InChI: InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | OCHEM | 1 » 0 |
| 2.17 | AttenGpKa training set | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 8.91 | QSARToolbox | 0 » -1 |
| 8.91 | OCHEM | 0 » -1 |
| 8.91 | AttenGpKa training set | 0 » -1 |