Molecule ID: mol372
SMILES: COc1ccc(C(=O)CCC(=O)O)cc1
InChI: InChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | AvLiLuMoVe | 0 » -1 |
| 4.70 | Settimo | 0 » -1 |