CC(=O)CCC(=O)O[C@H]1[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
SMILES: CC(=O)CCC(=O)O[C@H]1[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Molecular Processing

Molecular formula
C27H30Cl3NO7
Molecular weight
586.9
Exact mass
585.1088
XLogP
5.55
TPSA
104.14
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
143.27

Supplementary Information

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