Molecule ID: mol5911
SMILES: CCCN(CC(O)CC)CC(O)CC
InChI: InChI=1S/C11H25NO2/c1-4-7-12(8-10(13)5-2)9-11(14)6-3/h10-11,13-14H,4-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | Datawarrior | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |