Molecule ID: mol165
SMILES: Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
InChI: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | OCHEM | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Settimo | 1 » 0 |
| 8.30 | Settimo | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | Hunt | 1 » 0 |