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

Molecular Processing

Molecular formula
C19H27BrF3NO3S
Molecular weight
486.39
Exact mass
485.0847
XLogP
5.22
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
28
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
0.684
Molar refractivity
106.03

Supplementary Information

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