Molecule ID: mol34594
SMILES: c1cc2cc(c1)CNCCCNCCNCCCNC2
InChI: InChI=1S/C16H28N4/c1-4-15-12-16(5-1)14-20-9-3-7-18-11-10-17-6-2-8-19-13-15/h1,4-5,12,17-20H,2-3,6-11,13-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.02 | QSARToolbox | 2 » 1 |
| 9.80 | QSARToolbox | 1 » 0 |