SMILES:
CCCCCCCCCCCCCCCCOc1ccc(C=O)s1Molecular Processing
Molecular formula
C21H36O2S
Molecular weight
352.58
Exact mass
352.2436
XLogP
7.42
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
105.51
Supplementary Information
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