Molecule ID: mol1262
SMILES: O=C(O)CCc1cccc(Cl)c1
InChI: InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.58 | AttenGpKa training set | 0 » -1 |
| 4.59 | OCHEM | 0 » -1 |
| 4.59 | Hunt | 0 » -1 |
| 4.59 | OCHEM | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |