SMILES:
CC1OC(=O)C2C3OC(C4CCCCC43)C12Molecular Processing
Molecular formula
C13H18O3
Molecular weight
222.28
Exact mass
222.1256
XLogP
1.75
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
56.64
Supplementary Information
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