Molecule ID: mol5928
SMILES: CCCCCCN(CCO)CC(O)CC
InChI: InChI=1S/C12H27NO2/c1-3-5-6-7-8-13(9-10-14)11-12(15)4-2/h12,14-15H,3-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.40 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |