Molecule ID: mol14315
SMILES: CC(C)C1CC(CC(=O)O)NC1C(=O)O
InChI: InChI=1S/C10H17NO4/c1-5(2)7-3-6(4-8(12)13)11-9(7)10(14)15/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 1 » 0 |
| 2.10 | Datawarrior | 1 » 0 |
| 4.00 | Datawarrior | 0 » -1 |
| 10.40 | Datawarrior | -1 » -2 |
| 10.40 | OCHEM | -1 » -2 |