Molecule ID: mol23480
SMILES: O=C(O)CNC(=O)c1ccccc1Cl
InChI: InChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | AttenGpKa training set | 0 » -1 |