Molecule ID: mol11604
SMILES: CC1(C2=CCCCC2)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H14N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h5H,2-4,6H2,1H3,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | AttenGpKa training set | 0 » -1 |