Название: 1,2,3,4,6,9,9-heptachloro-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-dione
SMILES:
O=C1C=C(Cl)C(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)ClMolecular Processing
Molecular formula
C11H3Cl7O2
Molecular weight
415.31
Exact mass
411.7953
XLogP
4.34
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
81.27
Supplementary Information
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