CCCCSc1ccc([S+](c2ccc(SCCCC)cc2)c2ccc(SCCCC)cc2)cc1.O=S(=O)([O-])C(F)(F)F
SMILES: CCCCSc1ccc([S+](c2ccc(SCCCC)cc2)c2ccc(SCCCC)cc2)cc1.O=S(=O)([O-])C(F)(F)F

Molecular Processing

Molecular formula
C31H39F3O3S5
Molecular weight
676.98
Exact mass
676.1455
XLogP
10.51
TPSA
57.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.419
Molar refractivity
174.14

Supplementary Information

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