Molecule ID: mol203
SMILES: CN(C)CCCO
InChI: InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | IUPAC digitized pKa | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | Hunt | 1 » 0 |
| 9.30 | Settimo | 1 » 0 |
| 9.30 | AttenGpKa training set | 1 » 0 |
| 9.76 | Datawarrior | 1 » 0 |
| 9.76 | OCHEM | 1 » 0 |
| 9.76 | QSARToolbox | 1 » 0 |