Name: compound
SMILES:
Oc1cccnc1Cc1ccc(Br)cc1FMolecular Processing
Molecular formula
C12H9BrFNO
Molecular weight
282.11
Exact mass
280.9852
XLogP
3.28
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.81
Supplementary Information
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Involved in 12 reactions→