Molecule ID: mol5943
SMILES: CCCCCCCCCCCCCCN(CC(O)CC)CC(O)CC
InChI: InChI=1S/C22H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(24)5-2)20-22(25)6-3/h21-22,24-25H,4-20H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | Datawarrior | 1 » 0 |
| 5.85 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |