Название: compound
SMILES:
O=C(OCC(Cl)(Cl)Cl)Oc1cc2occ(C(=O)O)c(=O)c2cc1OC(=O)OCC(Cl)(Cl)ClMolecular Processing
Molecular formula
C16H8Cl6O10
Molecular weight
572.95
Exact mass
569.8249
XLogP
5.26
TPSA
138.57
H-bond donors
1
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
113.98
Supplementary Information
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