Molecule ID: mol388
SMILES: CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChI: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 1 » 0 |
| 8.20 | Settimo | 1 » 0 |
| 8.20 | Settimo | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |