Molecule ID: mol5934
SMILES: CCCCCCCCN(CC(C)O)CC(O)CC
InChI: InChI=1S/C15H33NO2/c1-4-6-7-8-9-10-11-16(12-14(3)17)13-15(18)5-2/h14-15,17-18H,4-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 1 » 0 |
| 6.80 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.70 | IUPAC digitized pKa | 1 » 0 |
| 8.10 | Datawarrior | 1 » 0 |
| 8.10 | QSARToolbox | 1 » 0 |
| 8.10 | OCHEM | 1 » 0 |