Molecule ID: mol5947
SMILES: CCCCCCCCCCCCCCCCCCN(CC(O)CC)CC(O)CC
InChI: InChI=1S/C26H55NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(23-25(28)5-2)24-26(29)6-3/h25-26,28-29H,4-24H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | Datawarrior | 1 » 0 |