CN([C@H]1CC[C@H](OCCCCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
SMILES: CN([C@H]1CC[C@H](OCCCCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C18H25BrF3NO3S
Molecular weight
472.37
Exact mass
471.0691
XLogP
4.83
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
101.42

Supplementary Information

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