Molecule ID: mol236
SMILES: CC(=O)OCCCCN(C)C
InChI: InChI=1S/C8H17NO2/c1-8(10)11-7-5-4-6-9(2)3/h4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | Hunt | 1 » 0 |
| 9.40 | AvLiLuMoVe | 1 » 0 |
| 9.40 | Settimo | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |