SMILES:
BrC1=CC23C=CC=CC2CC1C3Molecular Processing
Molecular formula
C11H11Br
Molecular weight
223.11
Exact mass
222.0044
XLogP
3.42
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
12
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
53.94
Supplementary Information
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