SMILES:
COCOc1cc(F)ccc1BrMolecular Processing
Molecular formula
C8H8BrFO2
Molecular weight
235.05
Exact mass
233.9692
XLogP
2.57
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
46.6
Supplementary Information
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