Molecule ID: mol12516
SMILES: O=C(O)CCCC1CCCCC1
InChI: InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | Datawarrior | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |