SMILES:
CCOC(=O)C1CCC2C3CCC4CC(O)C(OCC)CC4(C)C3C(NC(=O)OCC(Cl)(Cl)Cl)CC12CMolecular Processing
Molecular formula
C27H42Cl3NO6
Molecular weight
582.99
Exact mass
581.2078
XLogP
5.66
TPSA
94.09
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.926
Molar refractivity
142.6
Supplementary Information
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