Molecule ID: mol14859
SMILES: N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1
InChI: InChI=1S/C12H6N4O2/c13-5-9(6-14)11(7-15)16-10-3-1-8(2-4-10)12(17)18/h1-4,16H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |