SMILES:
N#CC(C#N)c1cccc(Br)c1Molecular Processing
Molecular formula
C9H5BrN2
Molecular weight
221.06
Exact mass
219.9636
XLogP
2.58
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
48.11
Supplementary Information
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