Molecule ID: mol1914
SMILES: Cc1cc(Cl)ccc1OCC(=O)O
InChI: InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.12 | AttenGpKa training set | 0 » -1 |
| 3.13 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.28 | OCHEM | 0 » -1 |
| 3.28 | Hunt | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |