Molecule ID: mol23433
SMILES: O=C(O)C(=O)Nc1cccc(Cl)c1
InChI: InChI=1S/C8H6ClNO3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h1-4H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | QSARToolbox | 0 » -1 |
| 1.91 | QSARToolbox | 0 » -1 |
| 1.91 | AttenGpKa training set | 0 » -1 |