CCBr.CN1[C@@H]2CC=C[C@@]1(OC(=O)C(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)CC2
SMILES: CCBr.CN1[C@@H]2CC=C[C@@]1(OC(=O)C(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)CC2

Molecular Processing

Molecular formula
C24H24BrF4NO3
Molecular weight
530.36
Exact mass
529.0876
XLogP
5.17
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.375
Molar refractivity
118.55

Supplementary Information

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