C=CCC1(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2O)OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
SMILES: C=CCC1(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2O)OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Molecular Processing

Molecular formula
C52H53ClO6
Molecular weight
809.44
Exact mass
808.3531
XLogP
11.34
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
19
Heavy atoms
59
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
234.26

Supplementary Information

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