CCOC(=O)C1(C#N)C(C=C(Cl)Cl)C1(C)C
SMILES: CCOC(=O)C1(C#N)C(C=C(Cl)Cl)C1(C)C

Molecular Processing

Molecular formula
C11H13Cl2NO2
Molecular weight
262.14
Exact mass
261.0323
XLogP
3.03
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
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
0.636
Molar refractivity
61.74

Supplementary Information

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