SMILES:
COc1c(N)c(C#N)c(C)c(Br)c1FMolecular Processing
Molecular formula
C9H8BrFN2O
Molecular weight
259.08
Exact mass
257.9804
XLogP
2.36
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
54.52
Supplementary Information
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