SMILES:
CCCCOC1=C(SCCCCCC(=O)O)C(C=CC(O)CC(C)CCCC)C(O)C1Molecular Processing
Molecular formula
C25H44O5S
Molecular weight
456.69
Exact mass
456.2909
XLogP
5.91
TPSA
86.99
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
18
Heavy atoms
31
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
129.01
Supplementary Information
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