SMILES:
CCCCCCCCCCCCCCCCCCOCC(CSC)OCc1ccccc1Molecular Processing
Molecular formula
C29H52O2S
Molecular weight
464.8
Exact mass
464.3688
XLogP
9.21
TPSA
18.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
24
Heavy atoms
32
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.793
Molar refractivity
143.77
Supplementary Information
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