Name: solution
SMILES:
CN(C)C=C(C#N)C(=O)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C12H10Cl2N2O
Molecular weight
269.13
Exact mass
268.017
XLogP
3.15
TPSA
44.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
68.18
Supplementary Information
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