SMILES:
Fc1ccc(OCC2CCCC(OC(CBr)c3ccc(Cl)cc3Cl)O2)cc1Molecular Processing
Molecular formula
C20H20BrCl2FO3
Molecular weight
478.19
Exact mass
475.9957
XLogP
6.56
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
108.49
Supplementary Information
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