SMILES:
CCCCCC(CCCC(CCCCCCC(=O)OCC)SCCCl)OC(C)=OMolecular Processing
Molecular formula
C23H43ClO4S
Molecular weight
451.11
Exact mass
450.2571
XLogP
6.91
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
20
Heavy atoms
29
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
124.85
Supplementary Information
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