Molecule ID: mol17781
SMILES: CC(C)CC1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O
InChI: InChI=1S/C21H28N2O3/c1-13(2)12-17-19(24)18(21(26)23-17)20(25)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17,24H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 0 » -1 |