Molecule ID: mol22
SMILES: Cc1cc(Cl)ccc1O[C@H](C)C(=O)O
InChI: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | AvLiLuMoVe | 0 » -1 |
| 3.21 | Settimo | 0 » -1 |
| 3.68 | OCHEM | 0 » -1 |
| 3.68 | OCHEM | 0 » -1 |