Molecule ID: mol3580
SMILES: OC(CN1CCCCC1)CN1CCCCC1
InChI: InChI=1S/C13H26N2O/c16-13(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h13,16H,1-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | QSARToolbox | 2 » 1 |
| 7.47 | IUPAC digitized pKa | 2 » 1 |
| 9.18 | OCHEM | 2 » 1 |
| 9.48 | QSARToolbox | 1 » 0 |
| 9.48 | IUPAC digitized pKa | 1 » 0 |