SMILES:
N#Cc1cc(F)cc(C(O)CBr)c1Molecular Processing
Molecular formula
C9H7BrFNO
Molecular weight
244.06
Exact mass
242.9695
XLogP
2.13
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.87
Supplementary Information
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