Molecule ID: mol31769
SMILES: CCC[C@@H](CC)C(=O)O
InChI: InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |