O=C(Cl)C1(c2ccc(Cl)c(Cl)c2)CC1
SMILES: O=C(Cl)C1(c2ccc(Cl)c(Cl)c2)CC1

Molecular Processing

Molecular formula
C10H7Cl3O
Molecular weight
249.52
Exact mass
247.9562
XLogP
3.79
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
58.23

Supplementary Information

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