Molecule ID: mol5898
SMILES: CCC(O)CN(CC(O)CC)C(C)(C)C
InChI: InChI=1S/C12H27NO2/c1-6-10(14)8-13(12(3,4)5)9-11(15)7-2/h10-11,14-15H,6-9H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |