SMILES:
C=CCC1(Cl)C(=O)CCCC1(Cl)ClMolecular Processing
Molecular formula
C9H11Cl3O
Molecular weight
241.54
Exact mass
239.9875
XLogP
3.47
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
56.69
Supplementary Information
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