Molecule ID: mol14900
SMILES: CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O
InChI: InChI=1S/C15H16O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-6,9,18H,7-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | Datawarrior | 0 » -1 |
| 5.13 | AttenGpKa training set | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |