Name: benzyl-2-hydroxystearate
SMILES:
CCCCCCCCCCCCCCCCC(O)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C25H42O3
Molecular weight
390.61
Exact mass
390.3134
XLogP
6.96
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
18
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
117.17
Supplementary Information
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