Molecule ID: mol1343
SMILES: CCCCNc1ncccn1
InChI: InChI=1S/C8H13N3/c1-2-3-5-9-8-10-6-4-7-11-8/h4,6-7H,2-3,5H2,1H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | AttenGpKa training set | 1 » 0 |
| 4.14 | IUPAC digitized pKa | 1 » 0 |
| 4.14 | Hunt | 1 » 0 |