Molecule ID: mol38075
SMILES: CC(C)(Cc1c[nH]c2ccccc12)NCC(O)CON=C(C1CC1)C1CC1
InChI: InChI=1S/C22H31N3O2/c1-22(2,11-17-12-23-20-6-4-3-5-19(17)20)24-13-18(26)14-27-25-21(15-7-8-15)16-9-10-16/h3-6,12,15-16,18,23-24,26H,7-11,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | 1 » 0 |