C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C27H43BrF2O2
Molecular weight
517.54
Exact mass
516.2414
XLogP
7.41
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.963
Molar refractivity
127.96

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→