SMILES:
O=C(Cl)C(CCBr)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C16H14BrClO
Molecular weight
337.64
Exact mass
335.9917
XLogP
4.52
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.94
Supplementary Information
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