SMILES:
N#Cc1ccc(CCBr)cc1Molecular Processing
Molecular formula
C9H8BrN
Molecular weight
210.07
Exact mass
208.984
XLogP
2.5
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
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
0.222
Molar refractivity
48.66
Supplementary Information
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