SMILES:
O=C(COc1ccc(Cl)cc1)OCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1ClMolecular Processing
Molecular formula
C20H17Cl5O5
Molecular weight
514.62
Exact mass
511.9519
XLogP
6.74
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
119.76
Supplementary Information
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