Molecule ID: mol31806
SMILES: C=C(CC(C)C)C1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C12H18N2O3/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16/h7H,4-6H2,1-3H3,(H2,13,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.48 | OCHEM | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |