Molecule ID: mol13221
SMILES: N#CC(C#N)=NNc1cccc(Cl)c1
InChI: InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | QSARToolbox | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |
| 6.00 | AttenGpKa training set | 0 » -1 |