Molecule ID: mol5920
SMILES: CCCCCN(CC(C)O)CC(O)CC
InChI: InChI=1S/C12H27NO2/c1-4-6-7-8-13(9-11(3)14)10-12(15)5-2/h11-12,14-15H,4-10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |