CC(COCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)=NO
SMILES: CC(COCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)=NO

Molecular Processing

Molecular formula
C17H21Cl4NO4
Molecular weight
445.17
Exact mass
443.0225
XLogP
6.11
TPSA
60.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
106.81

Supplementary Information

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