Molecule ID: mol1160
SMILES: O=C(O)CCCc1ccccc1
InChI: InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | Hunt | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | AttenGpKa training set | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |
| 4.78 | Datawarrior | 0 » -1 |
| 4.78 | OCHEM | 0 » -1 |