Molecule ID: mol11383
SMILES: CC(C)(C)c1ccc(O)c(Cl)c1
InChI: InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.58 | QSARToolbox | 0 » -1 |
| 8.58 | QSARToolbox | 0 » -1 |
| 8.58 | IUPAC digitized pKa | 0 » -1 |
| 8.58 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.58 | OCHEM | 0 » -1 |
| 8.58 | OCHEM | 0 » -1 |
| 8.58 | OCHEM | 0 » -1 |