SMILES:
COC(=O)C1CCC2(CC1)CC(=O)NC(=O)C2Molecular Processing
Molecular formula
C12H17NO4
Molecular weight
239.27
Exact mass
239.1158
XLogP
0.77
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
58.79
Supplementary Information
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