C=CCC(C)C(CC(=O)C(C)(C)C=O)OC(=O)OCC(Cl)(Cl)Cl
SMILES: C=CCC(C)C(CC(=O)C(C)(C)C=O)OC(=O)OCC(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C15H21Cl3O5
Molecular weight
387.69
Exact mass
386.0455
XLogP
4.27
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
23
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
89.96

Supplementary Information

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