Molecule ID: mol227
SMILES: CC(=O)CC1CCCCN1
InChI: InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.45 | IUPAC digitized pKa | 1 » 0 |
| 9.45 | AttenGpKa training set | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | AvLiLuMoVe | 1 » 0 |
| 9.50 | Settimo | 1 » 0 |