Molecule ID: mol3119
SMILES: CN(C)CCN(C)CCN(C)CCN(C)C
InChI: InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | IUPAC digitized pKa | 4 » 3 |
| 4.80 | QSARToolbox | 4 » 3 |
| 5.10 | OCHEM | 4 » 3 |
| 8.20 | QSARToolbox | 2 » 1 |
| 8.20 | IUPAC digitized pKa | 2 » 1 |
| 8.90 | OCHEM | 2 » 1 |
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | IUPAC digitized pKa | 1 » 0 |