Molecule ID: mol5946
SMILES: CCCCCCCCCCCCCCCCN(CC(O)CC)CC(O)CC
InChI: InChI=1S/C24H51NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(26)5-2)22-24(27)6-3/h23-24,26-27H,4-22H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | 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 |