SMILES:
CCCC/C=C\CCCCCCCC(=O)C1=C(O)CSC1=OMolecular Processing
Molecular formula
C18H28O3S
Molecular weight
324.49
Exact mass
324.1759
XLogP
5.12
TPSA
54.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
22
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
93.11
Supplementary Information
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