Molecule ID: mol42
SMILES: O=C(O)CCCCc1ccccc1
InChI: InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | OCHEM | 0 » -1 |
| 4.56 | OCHEM | 0 » -1 |
| 4.56 | Hunt | 0 » -1 |
| 4.56 | Settimo | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | Datawarrior | 0 » -1 |
| 4.88 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |