SMILES:
CC1CCCSc2cc(Br)ccc21Molecular Processing
Molecular formula
C11H13BrS
Molecular weight
257.2
Exact mass
255.9921
XLogP
4.44
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.52
Supplementary Information
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