SMILES:
N#Cc1ccc(C(Br)c2cccc(C#N)c2)cc1Molecular Processing
Molecular formula
C15H9BrN2
Molecular weight
297.15
Exact mass
295.9949
XLogP
3.91
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
73.08
Supplementary Information
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