SMILES:
Cc1cc(C#N)ccc1BrMolecular Processing
Molecular formula
C8H6BrN
Molecular weight
196.05
Exact mass
194.9684
XLogP
2.63
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
43.59
Supplementary Information
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