Molecule ID: mol14113
SMILES: CCc1cc(O)cc(C)c1Cl
InChI: InChI=1S/C9H11ClO/c1-3-7-5-8(11)4-6(2)9(7)10/h4-5,11H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Datawarrior | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |