Molecule ID: mol11930
SMILES: N#CC(C#N)=C(C#N)c1ccc(C(C#N)C#N)cc1
InChI: InChI=1S/C14H5N5/c15-5-12(6-16)10-1-3-11(4-2-10)14(9-19)13(7-17)8-18/h1-4,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.71 | IUPAC digitized pKa | 0 » -1 |
| 0.75 | IUPAC digitized pKa | 0 » -1 |
| 0.75 | IUPAC digitized pKa | 0 » -1 |
| 0.77 | IUPAC digitized pKa | 0 » -1 |