Molecule ID: mol16996
SMILES: Fc1ccc2c(c1)N(CCCN1CCCC1)c1cc(F)ccc1CC2
InChI: InChI=1S/C21H24F2N2/c22-18-8-6-16-4-5-17-7-9-19(23)15-21(17)25(20(16)14-18)13-3-12-24-10-1-2-11-24/h6-9,14-15H,1-5,10-13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |