SMILES:
CNCc1ccc(F)c(Br)c1Molecular Processing
Molecular formula
C8H9BrFN
Molecular weight
218.07
Exact mass
216.9902
XLogP
2.31
TPSA
12.03
H-bond donors
1
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
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
46.86
Supplementary Information
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