SMILES:
Fc1cccc(C#Cc2cncc(Br)c2)c1Molecular Processing
Molecular formula
C13H7BrFN
Molecular weight
276.11
Exact mass
274.9746
XLogP
3.38
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
64.32
Supplementary Information
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