Molecule ID: mol3191
SMILES: CC(O)CN(CC(C)O)CC(C)O
InChI: InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | IUPAC digitized pKa | 1 » 0 |
| 7.34 | IUPAC digitized pKa | 1 » 0 |
| 7.34 | QSARToolbox | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.82 | AttenGpKa training set | 1 » 0 |
| 7.86 | IUPAC digitized pKa | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 8.06 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |