Name: 5-(5-bromo-2-fluoro-phenyl)-5-difluoromethyl-morpholine-3-thione
SMILES:
Fc1ccc(Br)cc1C1(C(F)F)COCC(=S)N1Molecular Processing
Molecular formula
C11H9BrF3NOS
Molecular weight
340.16
Exact mass
338.954
XLogP
3
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
68.33
Supplementary Information
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