SMILES:
CCOC(=O)C(C#N)CC1CC1(Cl)ClMolecular Processing
Molecular formula
C9H11Cl2NO2
Molecular weight
236.1
Exact mass
235.0167
XLogP
2.27
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
52.9
Supplementary Information
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