SMILES:
N#CC1(c2cccc(Br)c2)CC1Molecular Processing
Molecular formula
C10H8BrN
Molecular weight
222.08
Exact mass
220.984
XLogP
3
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
50.67
Supplementary Information
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