SMILES:
CCCCC=Cc1cccc(Br)c1Molecular Processing
Molecular formula
C12H15Br
Molecular weight
239.16
Exact mass
238.0357
XLogP
4.65
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
62.7
Supplementary Information
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