Molecule ID: mol234
SMILES: CC1(C)CC(=O)CC(C)(C)N1
InChI: InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Hunt | 1 » 0 |
| 7.90 | AvLiLuMoVe | 1 » 0 |
| 7.90 | Settimo | 1 » 0 |
| 8.00 | AttenGpKa training set | 1 » 0 |