CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=C(Cl)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=C(Cl)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C

Molecular Processing

Molecular formula
C22H26Cl2O3
Molecular weight
409.35
Exact mass
408.1259
XLogP
4.6
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
27
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
104.2

Supplementary Information

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