COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
SMILES: COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C27H24F9NO
Molecular weight
549.48
Exact mass
549.1714
XLogP
8.83
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
124.51

Supplementary Information

Récupération des détails…

Impliqué dans 19 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→