CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(Br)cc(S(=O)(=O)C(C)C)c2)c1CCC(=O)OCC
SMILES: CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(Br)cc(S(=O)(=O)C(C)C)c2)c1CCC(=O)OCC

Molecular Processing

Molecular formula
C32H45BrO8S
Molecular weight
669.67
Exact mass
668.2019
XLogP
7.03
TPSA
105.2
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
20
Heavy atoms
42
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
166.89

Supplementary Information

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