SMILES:
O=C1CCC(=O)C1c1cc(-c2ccc(Cl)cc2Cl)ccc1C1CC1Molecular Processing
Molecular formula
C20H16Cl2O2
Molecular weight
359.25
Exact mass
358.0527
XLogP
5.55
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
95.86
Supplementary Information
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