CCc1ccc(Cc2cc3c(cc2Cl)C(O)CC32OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
SMILES: CCc1ccc(Cc2cc3c(cc2Cl)C(O)CC32OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

Molecular Processing

Molecular formula
C51H51ClO6
Molecular weight
795.42
Exact mass
794.3374
XLogP
10.5
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
58
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
227.36

Supplementary Information

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