CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(O)C(OC(=O)C(Cl)(Cl)Cl)C4(C)C3C2C)C(Br)C1
SMILES: CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(O)C(OC(=O)C(Cl)(Cl)Cl)C4(C)C3C2C)C(Br)C1

Molecular Processing

Molecular formula
C29H42BrCl3O6
Molecular weight
672.91
Exact mass
670.123
XLogP
6.03
TPSA
85.22
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
39
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.966
Molar refractivity
152.77

Supplementary Information

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