SMILES:
COC(=O)C12CC3CC(C1)C(=O)C(C3)C2Molecular Processing
Molecular formula
C12H16O3
Molecular weight
208.26
Exact mass
208.1099
XLogP
1.55
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
53.01
Supplementary Information
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