O=C(OCC(Cl)(Cl)Cl)Oc1cc2occ(C(=O)Cl)c(=O)c2cc1OC(=O)OCC(Cl)(Cl)Cl
SMILES: O=C(OCC(Cl)(Cl)Cl)Oc1cc2occ(C(=O)Cl)c(=O)c2cc1OC(=O)OCC(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C16H7Cl7O9
Molecular weight
591.39
Exact mass
587.791
XLogP
5.94
TPSA
118.34
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
117.2

Supplementary Information

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