SMILES:
C#CCCCCCC12OCC(CCC)(CO1)CO2Molecular Processing
Molecular formula
C15H24O3
Molecular weight
252.35
Exact mass
252.1725
XLogP
3.09
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.867
Molar refractivity
69.85
Supplementary Information
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