SMILES:
COC(=O)C(Cl)C(C)=OMolecular Processing
Molecular formula
C5H7ClO3
Molecular weight
150.56
Exact mass
150.0084
XLogP
0.36
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
32.34
Supplementary Information
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