Molecule ID: mol5900
SMILES: CCC(O)CN(CC(C)O)C(C)(C)C
InChI: InChI=1S/C11H25NO2/c1-6-10(14)8-12(7-9(2)13)11(3,4)5/h9-10,13-14H,6-8H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | IUPAC digitized pKa | 1 » 0 |
| 9.50 | IUPAC digitized pKa | 1 » 0 |
| 9.50 | Datawarrior | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | QSARToolbox | 1 » 0 |
| 9.50 | QSARToolbox | 1 » 0 |