Molecule ID: mol806
SMILES: O=C(O)c1ccc(C2CCCCC2)cc1
InChI: InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | Hunt | 0 » -1 |
| 4.39 | AttenGpKa training set | 0 » -1 |