SMILES:
CCCCCCCCCCCCCCC(OC(C)=O)C(=O)OMolecular Processing
Molecular formula
C18H34O4
Molecular weight
314.47
Exact mass
314.2457
XLogP
5.09
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
15
Heavy atoms
22
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
88.88
Supplementary Information
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