Molecule ID: mol3114
SMILES: NCCN(CCN)CCN(CCN)CCN
InChI: InChI=1S/C10H28N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h1-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | QSARToolbox | 6 » 5 |
| 1.23 | QSARToolbox | 6 » 5 |
| 8.56 | IUPAC digitized pKa | 3 » 2 |
| 9.14 | IUPAC digitized pKa | 4 » 3 |
| 9.14 | QSARToolbox | 3 » 2 |
| 9.54 | QSARToolbox | 1 » 0 |
| 9.70 | QSARToolbox | 2 » 1 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |
| 9.83 | QSARToolbox | 2 » 1 |
| 9.92 | QSARToolbox | 2 » 1 |
| 10.20 | IUPAC digitized pKa | 2 » 1 |