Molecule ID: mol1374
SMILES: Oc1ccc2c(c1)CCC2
InChI: InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.28 | OCHEM | 0 » -1 |
| 10.29 | Datawarrior | 0 » -1 |
| 10.29 | OCHEM | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.32 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.32 | OCHEM | 0 » -1 |
| 10.32 | OCHEM | 0 » -1 |
| 10.32 | Hunt | 0 » -1 |
| 10.32 | OCHEM | 0 » -1 |
| 10.32 | OCHEM | 0 » -1 |