SMILES:
CCCCCC(O)C=CC1C(O)CC2SC(CCCCC(=O)O)CC21Molecular Processing
Molecular formula
C20H34O4S
Molecular weight
370.56
Exact mass
370.2178
XLogP
4
TPSA
77.76
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
25
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
102.78
Supplementary Information
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