SMILES:
CCOC(=O)C(=O)c1cc(Cl)c(C2CCCCC2)c(Cl)c1Molecular Processing
Molecular formula
C16H18Cl2O3
Molecular weight
329.22
Exact mass
328.0633
XLogP
4.79
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.25
Supplementary Information
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