Molecule ID: mol3130
SMILES: N#CCCN(CCC#N)CCC#N
InChI: InChI=1S/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | IUPAC digitized pKa | 1 » 0 |
| 1.10 | AttenGpKa training set | 1 » 0 |
| 1.10 | QSARToolbox | 1 » 0 |