SMILES:
O=C(Oc1ccc(Cl)cc1)N1CCCc2cc(OCC=CCBr)ccc21Molecular Processing
Molecular formula
C20H19BrClNO3
Molecular weight
436.73
Exact mass
435.0237
XLogP
5.62
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
108.01
Supplementary Information
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