Molecule ID: mol5944
SMILES: CCCCCCCCCCCCCCN(CC(C)O)CC(O)CC
InChI: InChI=1S/C21H45NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20(3)23)19-21(24)5-2/h20-21,23-24H,4-19H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 5.40 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |