CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C#N
SMILES: CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C#N

Molecular Processing

Molecular formula
C12H8Cl2N4O
Molecular weight
295.13
Exact mass
294.0075
XLogP
2.41
TPSA
70.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
71.69

Supplementary Information

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