Molecule ID: mol2353
SMILES: O=C(O)CCCCCCc1ccccc1
InChI: InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | OCHEM | 0 » -1 |
| 5.07 | Hunt | 0 » -1 |
| 5.07 | OCHEM | 0 » -1 |
| 5.70 | QSARToolbox | 0 » -1 |