Molecule ID: mol2317
SMILES: Cc1cc(Cl)ccc1OCCCC(=O)O
InChI: InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Hunt | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 6.20 | OCHEM | 0 » -1 |
| 6.20 | OCHEM | 0 » -1 |
| 6.20 | OCHEM | 0 » -1 |
| 6.20 | OCHEM | 0 » -1 |