Molecule ID: mol31245
SMILES: N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O
InChI: InChI=1S/C11H2N4O3/c12-1-5(2-13)7-9(16)8(6(3-14)4-15)11(18)10(7)17/h17-18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.32 | AttenGpKa training set | 0 » -1 |
| 1.02 | AttenGpKa training set | 0 » -1 |