SMILES:
COC(=O)CC1CCc2ccc(OC)cc2C1=OMolecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
2
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
65.77
Supplementary Information
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