SMILES:
COc1cccnc1Cc1ccc(Br)cc1FMolecular Processing
Molecular formula
C13H11BrFNO
Molecular weight
296.14
Exact mass
295.0008
XLogP
3.58
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
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
0.154
Molar refractivity
67.7
Supplementary Information
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Involved in 6 reactions→