Molecule ID: mol17333
SMILES: CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1
InChI: InChI=1S/C14H26N2O2/c1-14(2,3)15-8-12(17)9-18-16-13(10-4-5-10)11-6-7-11/h10-12,15,17H,4-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.64 | Baltruschat ChEMBL | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |