Molecule ID: mol1380
SMILES: Oc1ccc2c(c1)CCCC2
InChI: InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.33 | Datawarrior | 0 » -1 |
| 10.33 | OCHEM | 0 » -1 |
| 10.44 | OCHEM | 0 » -1 |
| 10.48 | QSARToolbox | 0 » -1 |
| 10.48 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.48 | OCHEM | 0 » -1 |
| 10.48 | OCHEM | 0 » -1 |
| 10.48 | Hunt | 0 » -1 |
| 10.48 | OCHEM | 0 » -1 |
| 10.50 | QSARToolbox | 0 » -1 |