Molecule ID: mol191
SMILES: CN(C)CCO
InChI: InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.36 | QSARToolbox | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Hunt | 1 » 0 |
| 9.00 | Settimo | 1 » 0 |
| 9.15 | IUPAC digitized pKa | 1 » 0 |
| 9.23 | QSARToolbox | 1 » 0 |
| 9.23 | IUPAC digitized pKa | 1 » 0 |
| 9.24 | AttenGpKa training set | 1 » 0 |
| 9.25 | OCHEM | 1 » 0 |
| 9.26 | IUPAC digitized pKa | 1 » 0 |
| 9.26 | OCHEM | 1 » 0 |
| 9.26 | OCHEM | 1 » 0 |
| 9.26 | QSARToolbox | 1 » 0 |
| 9.31 | IUPAC digitized pKa | 1 » 0 |
| 9.31 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.31 | QSARToolbox | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | Datawarrior | 1 » 0 |