SMILES:
O=C1CCCOc2cc(Cl)c(Cl)cc21Molecular Processing
Molecular formula
C10H8Cl2O2
Molecular weight
231.08
Exact mass
229.9901
XLogP
3.35
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.52
Supplementary Information
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