名称: ODSA
SMILES:
CCCCCCCCCCCCCCC/C=C/CC1CC(=O)OC1=OMolecular Processing
Molecular formula
C22H38O3
Molecular weight
350.54
Exact mass
350.2821
XLogP
6.5
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
16
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
103.28
Supplementary Information
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