Molecule ID: mol12502
SMILES: CC(C)(C)NCCO
InChI: InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.28 | QSARToolbox | 1 » 0 |
| 10.11 | Datawarrior | 1 » 0 |
| 10.11 | OCHEM | 1 » 0 |
| 10.11 | AttenGpKa training set | 1 » 0 |