Molecule ID: mol4279
SMILES: CCNc1nc(NCC)nc(NCC)n1
InChI: InChI=1S/C9H18N6/c1-4-10-7-13-8(11-5-2)15-9(14-7)12-6-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | OCHEM | 1 » 0 |
| 5.84 | IUPAC digitized pKa | 1 » 0 |
| 5.84 | Datawarrior | 1 » 0 |
| 5.84 | AttenGpKa training set | 1 » 0 |
| 5.84 | OCHEM | 1 » 0 |
| 8.16 | QSARToolbox | 1 » 0 |