Molecule ID: mol2889
SMILES: CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21
InChI: InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Novartis | 1 » 0 |