Molecule ID: mol2144
SMILES: O=C(O)CCC(=O)c1cccc2ccccc12
InChI: InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | Datawarrior | 0 » -1 |
| 4.48 | OCHEM | 0 » -1 |
| 4.48 | Hunt | 0 » -1 |
| 4.48 | OCHEM | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |