COC1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)OC(C=O)(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
SMILES: COC1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)OC(C=O)(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Molecular Processing

Molecular formula
C47H45FO7S
Molecular weight
772.94
Exact mass
772.287
XLogP
8.97
TPSA
83.45
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
56
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.255
Molar refractivity
214.41

Supplementary Information

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