Molecule ID: mol20436
SMILES: NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@]12F
InChI: InChI=1S/C22H25ClFN3/c23-17-6-1-4-16(12-17)14-26-11-3-5-15-8-9-18-19-7-2-10-22(19,24)21(25)27-20(18)13-15/h1,4,6,8-9,12-13,19,26H,2-3,5,7,10-11,14H2,(H2,25,27)/t19-,22+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |