SMILES:
COC(=O)C(Cl)N1C(=O)CC1CC(C)=OMolecular Processing
Molecular formula
C9H12ClNO4
Molecular weight
233.65
Exact mass
233.0455
XLogP
0.3
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
52.21
Supplementary Information
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