SMILES:
O=C(C=CC1C(OC(=O)c2ccccc2)CC2OC(=O)CC21)COc1cccc(Cl)c1Molecular Processing
Molecular formula
C24H21ClO6
Molecular weight
440.88
Exact mass
440.1027
XLogP
4.02
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
112.83
Supplementary Information
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