Molecule ID: mol31891
SMILES: CC(C(=O)O)C1CCC[C@@H](C)C1
InChI: InChI=1S/C10H18O2/c1-7-4-3-5-9(6-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7-,8?,9?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | OCHEM | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |